*** close-open ***
output from eigenvector calculation:
STDOUT:
CUTOFF set to default value (CUTOFF=8)
Build Tirion matrix:
Pdbmat> Computes the Hessian matrix, using an Elastic Network Model.
Pdbmat> Version 3.50, Fevrier 2004.
Pdbmat> Options to be read in pdbmat.dat file.
Pdbmat> Coordinate filename = 2407051405192268459.atom
Pdbmat> Distance cutoff = 8.00
Force constant = 10.00
Origin of mass values = CONS
Pdbmat> Levelshift = 1.0E-09
PRINTing level = 2
Pdbmat> Coordinate file 2407051405192268459.atom to be opened.
Openam> File opened: 2407051405192268459.atom
Pdbmat> Coordinate file in PDB format.
Rdatompdb> Reading pdb file.
Rdatompdb> End of file reached.
Rdatompdb> Number of I/O errors: 0
Rdatompdb> Number of residues found = 1560
First residue number = 32
Last residue number = 421
Number of atoms found = 12652
Mean number per residue = 8.1
Pdbmat> Coordinate statistics:
= 115.230026 +/- 19.399261 From: 67.675000 To: 164.705000
= 118.433169 +/- 19.371726 From: 72.211000 To: 167.437000
= -60.892813 +/- 26.462560 From: -121.038000 To: -6.516000
Pdbmat> Masses are all set to one.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijb
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 0.6536 % Filled.
Pdbmat> 4707869 non-zero elements.
Pdbmat> 514733 atom-atom interactions.
Pdbmat> Number per atom= 81.37 +/- 23.07
Maximum number = 148
Minimum number = 10
Pdbmat> Matrix trace = 1.029466E+07
Pdbmat> Larger element = 532.245
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
1560 non-zero elements, NRBL set to 8
Diagonalize Tirion matrix using diagrtb
Diagrtb> Diagonalizes a matrix, using the RTB/BNM approximation.
Diagrtb> Version 2.52, November 2004.
Diagrtb> Options to be read in diagrtb.dat file.
Diagrtb> Options taken into account:
MATRix filename = pdbmat.sdijb
COORdinates filename = 2407051405192268459.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 8
Origin of MASS values = CONS
MATRix FORMat = BINA
Temporary files cleaning = ALL
Output PRINting level = 2
Diagrtb> Memory allocation for Blocpdb.
Blocpdb> Entering in.
Openam> file on opening on unit 10:
diagrtb_work.xyzm
Blocpdb> Coordinate file 2407051405192268459.atom to be opened.
Openam> file on opening on unit 11:
2407051405192268459.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 12652 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 8 residue(s) per block.
Blocpdb> 1560 residues.
Blocpdb> 64 atoms in block 1
Block first atom: 1
Blocpdb> 65 atoms in block 2
Block first atom: 65
Blocpdb> 64 atoms in block 3
Block first atom: 130
Blocpdb> 60 atoms in block 4
Block first atom: 194
Blocpdb> 77 atoms in block 5
Block first atom: 254
Blocpdb> 78 atoms in block 6
Block first atom: 331
Blocpdb> 67 atoms in block 7
Block first atom: 409
Blocpdb> 71 atoms in block 8
Block first atom: 476
Blocpdb> 67 atoms in block 9
Block first atom: 547
Blocpdb> 64 atoms in block 10
Block first atom: 614
Blocpdb> 72 atoms in block 11
Block first atom: 678
Blocpdb> 70 atoms in block 12
Block first atom: 750
Blocpdb> 68 atoms in block 13
Block first atom: 820
Blocpdb> 68 atoms in block 14
Block first atom: 888
Blocpdb> 78 atoms in block 15
Block first atom: 956
Blocpdb> 68 atoms in block 16
Block first atom: 1034
Blocpdb> 56 atoms in block 17
Block first atom: 1102
Blocpdb> 59 atoms in block 18
Block first atom: 1158
Blocpdb> 61 atoms in block 19
Block first atom: 1217
Blocpdb> 69 atoms in block 20
Block first atom: 1278
Blocpdb> 55 atoms in block 21
Block first atom: 1347
Blocpdb> 68 atoms in block 22
Block first atom: 1402
Blocpdb> 61 atoms in block 23
Block first atom: 1470
Blocpdb> 68 atoms in block 24
Block first atom: 1531
Blocpdb> 61 atoms in block 25
Block first atom: 1599
Blocpdb> 77 atoms in block 26
Block first atom: 1660
Blocpdb> 66 atoms in block 27
Block first atom: 1737
Blocpdb> 62 atoms in block 28
Block first atom: 1803
Blocpdb> 60 atoms in block 29
Block first atom: 1865
Blocpdb> 65 atoms in block 30
Block first atom: 1925
Blocpdb> 63 atoms in block 31
Block first atom: 1990
Blocpdb> 58 atoms in block 32
Block first atom: 2053
Blocpdb> 61 atoms in block 33
Block first atom: 2111
Blocpdb> 74 atoms in block 34
Block first atom: 2172
Blocpdb> 69 atoms in block 35
Block first atom: 2246
Blocpdb> 59 atoms in block 36
Block first atom: 2315
Blocpdb> 63 atoms in block 37
Block first atom: 2374
Blocpdb> 66 atoms in block 38
Block first atom: 2437
Blocpdb> 63 atoms in block 39
Block first atom: 2503
Blocpdb> 60 atoms in block 40
Block first atom: 2566
Blocpdb> 69 atoms in block 41
Block first atom: 2626
Blocpdb> 73 atoms in block 42
Block first atom: 2695
Blocpdb> 54 atoms in block 43
Block first atom: 2768
Blocpdb> 57 atoms in block 44
Block first atom: 2822
Blocpdb> 51 atoms in block 45
Block first atom: 2879
Blocpdb> 49 atoms in block 46
Block first atom: 2930
Blocpdb> 57 atoms in block 47
Block first atom: 2979
Blocpdb> 67 atoms in block 48
Block first atom: 3036
Blocpdb> 61 atoms in block 49
Block first atom: 3103
Blocpdb> 64 atoms in block 50
Block first atom: 3164
Blocpdb> 65 atoms in block 51
Block first atom: 3228
Blocpdb> 64 atoms in block 52
Block first atom: 3293
Blocpdb> 60 atoms in block 53
Block first atom: 3357
Blocpdb> 77 atoms in block 54
Block first atom: 3417
Blocpdb> 78 atoms in block 55
Block first atom: 3494
Blocpdb> 67 atoms in block 56
Block first atom: 3572
Blocpdb> 71 atoms in block 57
Block first atom: 3639
Blocpdb> 67 atoms in block 58
Block first atom: 3710
Blocpdb> 64 atoms in block 59
Block first atom: 3777
Blocpdb> 72 atoms in block 60
Block first atom: 3841
Blocpdb> 70 atoms in block 61
Block first atom: 3913
Blocpdb> 68 atoms in block 62
Block first atom: 3983
Blocpdb> 68 atoms in block 63
Block first atom: 4051
Blocpdb> 78 atoms in block 64
Block first atom: 4119
Blocpdb> 68 atoms in block 65
Block first atom: 4197
Blocpdb> 56 atoms in block 66
Block first atom: 4265
Blocpdb> 59 atoms in block 67
Block first atom: 4321
Blocpdb> 61 atoms in block 68
Block first atom: 4380
Blocpdb> 69 atoms in block 69
Block first atom: 4441
Blocpdb> 55 atoms in block 70
Block first atom: 4510
Blocpdb> 68 atoms in block 71
Block first atom: 4565
Blocpdb> 61 atoms in block 72
Block first atom: 4633
Blocpdb> 68 atoms in block 73
Block first atom: 4694
Blocpdb> 61 atoms in block 74
Block first atom: 4762
Blocpdb> 77 atoms in block 75
Block first atom: 4823
Blocpdb> 66 atoms in block 76
Block first atom: 4900
Blocpdb> 62 atoms in block 77
Block first atom: 4966
Blocpdb> 60 atoms in block 78
Block first atom: 5028
Blocpdb> 65 atoms in block 79
Block first atom: 5088
Blocpdb> 63 atoms in block 80
Block first atom: 5153
Blocpdb> 58 atoms in block 81
Block first atom: 5216
Blocpdb> 61 atoms in block 82
Block first atom: 5274
Blocpdb> 74 atoms in block 83
Block first atom: 5335
Blocpdb> 69 atoms in block 84
Block first atom: 5409
Blocpdb> 59 atoms in block 85
Block first atom: 5478
Blocpdb> 63 atoms in block 86
Block first atom: 5537
Blocpdb> 66 atoms in block 87
Block first atom: 5600
Blocpdb> 63 atoms in block 88
Block first atom: 5666
Blocpdb> 60 atoms in block 89
Block first atom: 5729
Blocpdb> 69 atoms in block 90
Block first atom: 5789
Blocpdb> 73 atoms in block 91
Block first atom: 5858
Blocpdb> 54 atoms in block 92
Block first atom: 5931
Blocpdb> 57 atoms in block 93
Block first atom: 5985
Blocpdb> 51 atoms in block 94
Block first atom: 6042
Blocpdb> 49 atoms in block 95
Block first atom: 6093
Blocpdb> 57 atoms in block 96
Block first atom: 6142
Blocpdb> 67 atoms in block 97
Block first atom: 6199
Blocpdb> 61 atoms in block 98
Block first atom: 6266
Blocpdb> 64 atoms in block 99
Block first atom: 6327
Blocpdb> 65 atoms in block 100
Block first atom: 6391
Blocpdb> 64 atoms in block 101
Block first atom: 6456
Blocpdb> 60 atoms in block 102
Block first atom: 6520
Blocpdb> 77 atoms in block 103
Block first atom: 6580
Blocpdb> 78 atoms in block 104
Block first atom: 6657
Blocpdb> 67 atoms in block 105
Block first atom: 6735
Blocpdb> 71 atoms in block 106
Block first atom: 6802
Blocpdb> 67 atoms in block 107
Block first atom: 6873
Blocpdb> 64 atoms in block 108
Block first atom: 6940
Blocpdb> 72 atoms in block 109
Block first atom: 7004
Blocpdb> 70 atoms in block 110
Block first atom: 7076
Blocpdb> 68 atoms in block 111
Block first atom: 7146
Blocpdb> 68 atoms in block 112
Block first atom: 7214
Blocpdb> 78 atoms in block 113
Block first atom: 7282
Blocpdb> 68 atoms in block 114
Block first atom: 7360
Blocpdb> 56 atoms in block 115
Block first atom: 7428
Blocpdb> 59 atoms in block 116
Block first atom: 7484
Blocpdb> 61 atoms in block 117
Block first atom: 7543
Blocpdb> 69 atoms in block 118
Block first atom: 7604
Blocpdb> 55 atoms in block 119
Block first atom: 7673
Blocpdb> 68 atoms in block 120
Block first atom: 7728
Blocpdb> 61 atoms in block 121
Block first atom: 7796
Blocpdb> 68 atoms in block 122
Block first atom: 7857
Blocpdb> 61 atoms in block 123
Block first atom: 7925
Blocpdb> 77 atoms in block 124
Block first atom: 7986
Blocpdb> 66 atoms in block 125
Block first atom: 8063
Blocpdb> 62 atoms in block 126
Block first atom: 8129
Blocpdb> 60 atoms in block 127
Block first atom: 8191
Blocpdb> 65 atoms in block 128
Block first atom: 8251
Blocpdb> 63 atoms in block 129
Block first atom: 8316
Blocpdb> 58 atoms in block 130
Block first atom: 8379
Blocpdb> 61 atoms in block 131
Block first atom: 8437
Blocpdb> 74 atoms in block 132
Block first atom: 8498
Blocpdb> 69 atoms in block 133
Block first atom: 8572
Blocpdb> 59 atoms in block 134
Block first atom: 8641
Blocpdb> 63 atoms in block 135
Block first atom: 8700
Blocpdb> 66 atoms in block 136
Block first atom: 8763
Blocpdb> 63 atoms in block 137
Block first atom: 8829
Blocpdb> 60 atoms in block 138
Block first atom: 8892
Blocpdb> 69 atoms in block 139
Block first atom: 8952
Blocpdb> 73 atoms in block 140
Block first atom: 9021
Blocpdb> 54 atoms in block 141
Block first atom: 9094
Blocpdb> 57 atoms in block 142
Block first atom: 9148
Blocpdb> 51 atoms in block 143
Block first atom: 9205
Blocpdb> 49 atoms in block 144
Block first atom: 9256
Blocpdb> 57 atoms in block 145
Block first atom: 9305
Blocpdb> 67 atoms in block 146
Block first atom: 9362
Blocpdb> 61 atoms in block 147
Block first atom: 9429
Blocpdb> 64 atoms in block 148
Block first atom: 9490
Blocpdb> 65 atoms in block 149
Block first atom: 9554
Blocpdb> 64 atoms in block 150
Block first atom: 9619
Blocpdb> 60 atoms in block 151
Block first atom: 9683
Blocpdb> 77 atoms in block 152
Block first atom: 9743
Blocpdb> 78 atoms in block 153
Block first atom: 9820
Blocpdb> 67 atoms in block 154
Block first atom: 9898
Blocpdb> 71 atoms in block 155
Block first atom: 9965
Blocpdb> 67 atoms in block 156
Block first atom: 10036
Blocpdb> 64 atoms in block 157
Block first atom: 10103
Blocpdb> 72 atoms in block 158
Block first atom: 10167
Blocpdb> 70 atoms in block 159
Block first atom: 10239
Blocpdb> 68 atoms in block 160
Block first atom: 10309
Blocpdb> 68 atoms in block 161
Block first atom: 10377
Blocpdb> 78 atoms in block 162
Block first atom: 10445
Blocpdb> 68 atoms in block 163
Block first atom: 10523
Blocpdb> 56 atoms in block 164
Block first atom: 10591
Blocpdb> 59 atoms in block 165
Block first atom: 10647
Blocpdb> 61 atoms in block 166
Block first atom: 10706
Blocpdb> 69 atoms in block 167
Block first atom: 10767
Blocpdb> 55 atoms in block 168
Block first atom: 10836
Blocpdb> 68 atoms in block 169
Block first atom: 10891
Blocpdb> 61 atoms in block 170
Block first atom: 10959
Blocpdb> 68 atoms in block 171
Block first atom: 11020
Blocpdb> 61 atoms in block 172
Block first atom: 11088
Blocpdb> 77 atoms in block 173
Block first atom: 11149
Blocpdb> 66 atoms in block 174
Block first atom: 11226
Blocpdb> 62 atoms in block 175
Block first atom: 11292
Blocpdb> 60 atoms in block 176
Block first atom: 11354
Blocpdb> 65 atoms in block 177
Block first atom: 11414
Blocpdb> 63 atoms in block 178
Block first atom: 11479
Blocpdb> 58 atoms in block 179
Block first atom: 11542
Blocpdb> 61 atoms in block 180
Block first atom: 11600
Blocpdb> 74 atoms in block 181
Block first atom: 11661
Blocpdb> 69 atoms in block 182
Block first atom: 11735
Blocpdb> 59 atoms in block 183
Block first atom: 11804
Blocpdb> 63 atoms in block 184
Block first atom: 11863
Blocpdb> 66 atoms in block 185
Block first atom: 11926
Blocpdb> 63 atoms in block 186
Block first atom: 11992
Blocpdb> 60 atoms in block 187
Block first atom: 12055
Blocpdb> 69 atoms in block 188
Block first atom: 12115
Blocpdb> 73 atoms in block 189
Block first atom: 12184
Blocpdb> 54 atoms in block 190
Block first atom: 12257
Blocpdb> 57 atoms in block 191
Block first atom: 12311
Blocpdb> 51 atoms in block 192
Block first atom: 12368
Blocpdb> 49 atoms in block 193
Block first atom: 12419
Blocpdb> 57 atoms in block 194
Block first atom: 12468
Blocpdb> 67 atoms in block 195
Block first atom: 12525
Blocpdb> 61 atoms in block 196
Block first atom: 12591
Blocpdb> 196 blocks.
Blocpdb> At most, 78 atoms in each of them.
Blocpdb> At least, 49 atoms in each of them.
Blocpdb> Normal end of Blocpdb.
Diagrtb> Memory allocation for Prepmat.
Diagrtb> Memory allocation for RTB.
Diagrtb> Memory allocation for Diagstd.
Diagrtb> Memory allocation for RTB_to_modes.
Prepmat> Entering in.
Prepmat> Rewriting of the matrix begins.
Prepmat> 4708065 matrix lines read.
Prepmat> Matrix order = 37956
Prepmat> Matrix trace = 10294660.0000
Prepmat> Last element read: 37956 37956 304.2415
Prepmat> 19307 lines saved.
Prepmat> 17903 empty lines.
Prepmat> Number of lines on output is as expected.
Prepmat> Normal end of Prepmat.
RTB> Entering in.
RTB> Number of atoms found in temporary coordinate file: 12652
RTB> Total mass = 12652.0000
RTB> Number of atoms found in matrix: 12652
RTB> Number of blocks = 196
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 180782.0067
RTB> 47568 non-zero elements.
RTB> Normal end of RTB.
Diagstd> Entering in.
Openam> file on opening on unit 10:
diagrtb_work.sdijb
Diagstd> Projected matrix to be read from file: diagrtb_work.sdijb
Diagstd> CERFACS matrix format.
Diagstd> Projected matrix order = 1176
Diagstd> Nb of non-zero elements: 47568
Diagstd> Projected matrix trace = 180782.0067
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1176 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 180782.0067
Diagstd> Best zero-eigenvalue found : 0.000000
Diagstd> 6 zero-eigenvalues, that is, below or equal to: 0.0000000
Diagstd> Selected eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.3806489 0.3808986 0.4080067 0.4353358
0.5546806 0.5548680 0.6152480 0.7133701 0.9034419
0.9036198 0.9891876 0.9924125 1.4543543 1.8655637
1.8659145 1.9480440 2.0749231 2.1107337 2.1109590
2.2724143 2.4822619 2.4826098 2.5493352 2.7202024
2.8012310 3.1700182 3.1708581 3.4983188 3.5899352
3.6764067 3.6776776 4.4936944 4.7183314 4.7183936
4.7394036 5.2422766 5.2439924 5.2467285 5.3754668
5.4810585 5.5086140 5.6820644 6.0731974 6.0735415
6.3553250 6.3567348 6.6206233 6.8149527 7.4588314
7.5350857 7.7142965 7.7169500 8.1985963 8.6247112
8.6269512 8.6846198 8.8889380 9.5894616 9.5934747
10.0857329 10.0914045 10.2409271 10.3228903 10.4600412
10.4657675 11.1907830 11.3880390 11.3914812 11.5046737
12.4749898 12.4763153 12.7649940 12.9961244 13.0265796
13.5962165 13.6006916 13.8197138 14.2467775 14.6853699
14.6879484 14.6891099 15.0360315 15.5369242 15.5387683
16.2498797 16.5738520 16.6120723 16.6173963 17.5505380
17.7545797 18.0618215 18.0656023 18.7882635 19.5787049
19.5815451 19.7581247 20.1755464 20.5144388 20.5183405
20.6721513
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034319 0.0034329 0.0034331 0.0034333 0.0034336
0.0034340 66.9973383 67.0193105 69.3631676 71.6485599
80.8754631 80.8891226 85.1766169 91.7176114 103.2156139
103.2257760 108.0027008 108.1786096 130.9575023 148.3202063
148.3341506 151.5635118 156.4214401 157.7654877 157.7739058
163.6963669 171.0878160 171.0998037 173.3838932 179.1001255
181.7480434 193.3419795 193.3675884 203.1070374 205.7494023
208.2126224 208.2486085 230.1956147 235.8791208 235.8806756
236.4052551 248.6309815 248.6716675 248.7365322 251.7696488
254.2304097 254.8686700 258.8501113 267.6110105 267.6185923
273.7563253 273.7866863 279.4117839 283.4827940 296.5723624
298.0844893 301.6084079 301.6602756 310.9317224 318.9095775
318.9509876 320.0152585 323.7577842 336.2733051 336.3436614
344.8649142 344.9618648 347.5080881 348.8959560 351.2060419
351.3021609 363.2666409 366.4542420 366.5096211 368.3260485
383.5441642 383.5645412 387.9766495 391.4733574 391.9317800
400.4094480 400.4753387 403.6870373 409.8770489 416.1383350
416.1748667 416.1913225 421.0773616 428.0335423 428.0589443
437.7441544 442.0862507 442.5956961 442.6666139 454.9257261
457.5625565 461.5046208 461.5529198 470.6939346 480.4932157
480.5280668 482.6898215 487.7619666 491.8414208 491.8881914
493.7284100
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 12652
Rtb_to_modes> Number of blocs = 196
Openam> file on opening on unit 10:
diagrtb_work.eigenfacs
Openam> file on opening on unit 11:
matrix.eigenrtb
Rdmodfacs> Entering in.
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Eigenvector number: 1
Rdmodfacs> Corresponding eigenvalue: 9.9882E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9936E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9950E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9962E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 9.9977E-10
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0000E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 0.3806
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.3809
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 0.4080
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 0.4353
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 0.5547
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 0.5549
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 0.6152
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 0.7134
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 0.9034
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 0.9036
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 0.9892
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 0.9924
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 1.454
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 1.866
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 1.866
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 1.948
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 2.075
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 2.111
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 2.111
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 2.272
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 2.482
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 2.483
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 2.549
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 2.720
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 2.801
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 3.170
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 3.171
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 3.498
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 3.590
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 3.676
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 3.678
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 4.494
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 4.718
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 4.718
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 4.739
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 5.242
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 5.244
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 5.247
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 5.375
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 5.481
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 5.509
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 5.682
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 6.073
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 6.074
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 6.355
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 6.357
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 6.621
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 6.815
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 7.459
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 7.535
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 7.714
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 7.717
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 8.199
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 8.625
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 8.627
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 8.685
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 8.889
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 9.589
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 9.593
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 10.09
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 10.09
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 10.24
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 10.32
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 10.46
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 10.47
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 11.19
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 11.39
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 11.39
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 11.50
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 12.47
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 12.48
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 12.76
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 13.00
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 13.03
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 13.60
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 13.60
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 13.82
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 14.25
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 14.69
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 14.69
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 14.69
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 15.04
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 15.54
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 15.54
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 16.25
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 16.57
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 16.61
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 16.62
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 17.55
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 17.75
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 18.06
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 18.07
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 18.79
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 19.58
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 19.58
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 19.76
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 20.18
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 20.51
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 20.52
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 20.67
Rtb_to_modes> 106 vectors, with 1176 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
0.99999 1.00000 1.00000 1.00000 1.00000
1.00000 1.00002 1.00000 1.00001 0.99997
1.00002 1.00001 1.00001 1.00002 1.00001
1.00000 1.00000 1.00001 1.00000 1.00000
0.99998 0.99999 0.99998 1.00002 1.00000
0.99997 0.99999 1.00002 1.00000 1.00002
1.00004 0.99997 0.99997 0.99999 0.99999
1.00001 1.00001 0.99997 1.00003 1.00000
1.00002 0.99999 1.00000 1.00005 0.99999
1.00002 0.99999 1.00002 1.00001 1.00002
1.00002 1.00001 1.00000 0.99999 1.00002
1.00000 1.00001 1.00000 1.00001 1.00000
1.00000 1.00001 0.99999 0.99998 1.00001
1.00000 0.99997 1.00001 1.00002 1.00003
0.99999 0.99998 1.00001 1.00000 1.00002
1.00000 1.00002 1.00001 1.00000 0.99999
1.00000 0.99999 0.99999 0.99998 1.00001
1.00002 1.00001 1.00001 1.00001 1.00001
0.99998 0.99999 1.00000 0.99997 1.00002
1.00000 0.99998 0.99999 0.99998 0.99999
1.00002 1.00000 1.00000 1.00001 0.99999
1.00003
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 227736 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
0.99999 1.00000 1.00000 1.00000 1.00000
1.00000 1.00002 1.00000 1.00001 0.99997
1.00002 1.00001 1.00001 1.00002 1.00001
1.00000 1.00000 1.00001 1.00000 1.00000
0.99998 0.99999 0.99998 1.00002 1.00000
0.99997 0.99999 1.00002 1.00000 1.00002
1.00004 0.99997 0.99997 0.99999 0.99999
1.00001 1.00001 0.99997 1.00003 1.00000
1.00002 0.99999 1.00000 1.00005 0.99999
1.00002 0.99999 1.00002 1.00001 1.00002
1.00002 1.00001 1.00000 0.99999 1.00002
1.00000 1.00001 1.00000 1.00001 1.00000
1.00000 1.00001 0.99999 0.99998 1.00001
1.00000 0.99997 1.00001 1.00002 1.00003
0.99999 0.99998 1.00001 1.00000 1.00002
1.00000 1.00002 1.00001 1.00000 0.99999
1.00000 0.99999 0.99999 0.99998 1.00001
1.00002 1.00001 1.00001 1.00001 1.00001
0.99998 0.99999 1.00000 0.99997 1.00002
1.00000 0.99998 0.99999 0.99998 0.99999
1.00002 1.00000 1.00000 1.00001 0.99999
1.00003
Orthogonality of first eigenvectors (zero expected):
Vector 2:-0.000
Vector 3: 0.000-0.000
Vector 4: 0.000-0.000 0.000
Vector 5: 0.000 0.000-0.000 0.000
Vector 6: 0.000 0.000-0.000-0.000 0.000
Vector 7: 0.000 0.000 0.000-0.000-0.000 0.000
Vector 8:-0.000-0.000-0.000 0.000 0.000 0.000 0.000
Vector 9: 0.000 0.000 0.000-0.000-0.000-0.000 0.000 0.000
Vector 10: 0.000 0.000-0.000 0.000 0.000-0.000 0.000 0.000-0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2407051405192268459.eigenfacs
Openam> file on opening on unit 10:
2407051405192268459.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2407051405192268459.atom
Openam> file on opening on unit 11:
2407051405192268459.atom
Getnum> Number of skipped eigenvectors ?
Getnum> 0
Getnum> Number of usefull eigenvectors ?
Getnum> 10000
%Getnum-Err: number larger than 106 This is not allowed. Sorry.
Rdatompdb> Reading pdb file.
Rdatompdb> End of file reached.
Rdatompdb> Number of I/O errors: 0
Rdatompdb> Number of residues found = 1560
First residue number = 32
Last residue number = 421
Number of atoms found = 12652
Mean number per residue = 8.1
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9882E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9936E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9950E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9962E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9977E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0000E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3806
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3809
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4080
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4353
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5547
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5549
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6152
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7134
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9034
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9036
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9892
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9924
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 1.454
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 1.866
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 1.866
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 1.948
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 2.075
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 2.111
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 2.111
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 2.272
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 2.482
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 2.483
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 2.549
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 2.720
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 2.801
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 3.170
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 3.171
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 3.498
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 3.590
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 3.676
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 3.678
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 4.494
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 4.718
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 4.718
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 4.739
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 5.242
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 5.244
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 5.247
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 5.375
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 5.481
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 5.509
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 5.682
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 6.073
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 6.074
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 6.355
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 6.357
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 6.621
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 6.815
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 7.459
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 7.535
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 7.714
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 7.717
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 8.199
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 8.625
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 8.627
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 8.685
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 8.889
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 9.589
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 9.593
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 10.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 10.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 10.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 10.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 10.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 10.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 11.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 11.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 11.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 11.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 12.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 12.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 12.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 13.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 13.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 13.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 13.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 13.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 14.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 14.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 14.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 14.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 15.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 15.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 15.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 16.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 16.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 16.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 16.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 17.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 17.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 18.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 18.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 18.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 19.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 19.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 19.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 20.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 20.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 20.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 20.67
Bfactors> 106 vectors, 37956 coordinates in file.
Openam> file on opening on unit 12:
bfactors.pred
Bfactors> Best zero-eigenvalue found : 0.000000
Bfactors> 6 eigenvalues less than : 0.000000
Bfactors> Lowest non-zero eigenvalue : 0.380600
Bfactors> 100 eigenvectors will be considered.
Bfactors> Rotation-Tranlation modes are skipped.
Bfactors> Mass-weighted B-factors are computed.
(CHARMM units assumed for eigenvalues)
Bfactors> Correlation= -0.205 for 1560 C-alpha atoms.
Bfactors> = 0.043 +/- 0.05
Bfactors> = 62.011 +/- 33.16
Bfactors> Shiftng-fct= 61.968
Bfactors> Scaling-fct= 724.701
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
Chkmod> Version 1.00, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2407051405192268459.eigenfacs
Openam> file on opening on unit 10:
2407051405192268459.eigenfacs
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Frequence du vecteur en lecture: 3.4318E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Frequence du vecteur en lecture: 3.4327E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Frequence du vecteur en lecture: 3.4330E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Frequence du vecteur en lecture: 3.4332E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Frequence du vecteur en lecture: 3.4334E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Frequence du vecteur en lecture: 3.4338E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Frequence du vecteur en lecture: 66.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Frequence du vecteur en lecture: 67.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Frequence du vecteur en lecture: 69.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Frequence du vecteur en lecture: 71.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Frequence du vecteur en lecture: 80.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Frequence du vecteur en lecture: 80.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Frequence du vecteur en lecture: 85.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Frequence du vecteur en lecture: 91.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Frequence du vecteur en lecture: 103.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Frequence du vecteur en lecture: 103.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Frequence du vecteur en lecture: 108.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Frequence du vecteur en lecture: 108.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Frequence du vecteur en lecture: 130.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Frequence du vecteur en lecture: 148.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Frequence du vecteur en lecture: 148.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Frequence du vecteur en lecture: 151.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Frequence du vecteur en lecture: 156.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Frequence du vecteur en lecture: 157.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Frequence du vecteur en lecture: 157.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Frequence du vecteur en lecture: 163.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Frequence du vecteur en lecture: 171.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Frequence du vecteur en lecture: 171.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Frequence du vecteur en lecture: 173.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Frequence du vecteur en lecture: 179.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Frequence du vecteur en lecture: 181.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Frequence du vecteur en lecture: 193.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Frequence du vecteur en lecture: 193.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Frequence du vecteur en lecture: 203.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Frequence du vecteur en lecture: 205.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Frequence du vecteur en lecture: 208.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Frequence du vecteur en lecture: 208.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Frequence du vecteur en lecture: 230.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Frequence du vecteur en lecture: 235.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Frequence du vecteur en lecture: 235.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Frequence du vecteur en lecture: 236.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Frequence du vecteur en lecture: 248.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Frequence du vecteur en lecture: 248.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Frequence du vecteur en lecture: 248.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Frequence du vecteur en lecture: 251.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Frequence du vecteur en lecture: 254.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Frequence du vecteur en lecture: 254.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Frequence du vecteur en lecture: 258.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Frequence du vecteur en lecture: 267.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Frequence du vecteur en lecture: 267.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Frequence du vecteur en lecture: 273.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Frequence du vecteur en lecture: 273.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Frequence du vecteur en lecture: 279.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Frequence du vecteur en lecture: 283.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Frequence du vecteur en lecture: 296.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Frequence du vecteur en lecture: 298.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Frequence du vecteur en lecture: 301.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Frequence du vecteur en lecture: 301.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Frequence du vecteur en lecture: 310.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Frequence du vecteur en lecture: 318.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Frequence du vecteur en lecture: 318.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Frequence du vecteur en lecture: 320.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Frequence du vecteur en lecture: 323.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Frequence du vecteur en lecture: 336.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Frequence du vecteur en lecture: 336.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Frequence du vecteur en lecture: 344.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Frequence du vecteur en lecture: 344.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Frequence du vecteur en lecture: 347.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Frequence du vecteur en lecture: 348.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Frequence du vecteur en lecture: 351.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Frequence du vecteur en lecture: 351.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Frequence du vecteur en lecture: 363.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Frequence du vecteur en lecture: 366.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Frequence du vecteur en lecture: 366.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Frequence du vecteur en lecture: 368.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Frequence du vecteur en lecture: 383.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Frequence du vecteur en lecture: 383.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Frequence du vecteur en lecture: 387.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Frequence du vecteur en lecture: 391.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Frequence du vecteur en lecture: 392.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Frequence du vecteur en lecture: 400.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Frequence du vecteur en lecture: 400.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Frequence du vecteur en lecture: 403.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Frequence du vecteur en lecture: 409.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Frequence du vecteur en lecture: 416.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Frequence du vecteur en lecture: 416.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Frequence du vecteur en lecture: 416.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Frequence du vecteur en lecture: 421.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Frequence du vecteur en lecture: 428.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Frequence du vecteur en lecture: 428.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Frequence du vecteur en lecture: 437.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Frequence du vecteur en lecture: 442.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Frequence du vecteur en lecture: 442.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Frequence du vecteur en lecture: 442.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Frequence du vecteur en lecture: 454.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Frequence du vecteur en lecture: 457.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Frequence du vecteur en lecture: 461.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Frequence du vecteur en lecture: 461.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Frequence du vecteur en lecture: 470.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Frequence du vecteur en lecture: 480.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Frequence du vecteur en lecture: 480.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Frequence du vecteur en lecture: 482.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Frequence du vecteur en lecture: 487.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Frequence du vecteur en lecture: 491.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Frequence du vecteur en lecture: 491.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Frequence du vecteur en lecture: 493.7
Chkmod> 106 vectors, 37956 coordinates in file.
Chkmod> That is: 12652 cartesian points.
Openam> file on opening on unit 11:
Chkmod.res
Chkmod> Collectivity=f(frequency) to be written in this file.
Chkmod> Normal end.
0.0034 0.7231
0.0034 0.7880
0.0034 0.8270
0.0034 0.7120
0.0034 0.8841
0.0034 0.7617
66.9902 0.4576
67.0166 0.4571
69.3596 0.3188
71.6425 0.5621
80.8734 0.6173
80.8880 0.6176
85.1696 0.3635
91.7156 0.4660
103.2088 0.3973
103.2202 0.3973
107.9987 0.3064
108.1733 0.7205
130.9359 0.7436
148.3312 0.1842
148.3312 0.1842
151.5553 0.1126
156.4176 0.1777
157.7687 0.3995
157.7687 0.4001
163.6744 0.3353
171.0714 0.3174
171.1059 0.3173
173.3651 0.2869
179.0858 0.2588
181.7327 0.2517
193.3331 0.3139
193.3636 0.3140
203.0891 0.2654
205.7424 0.5414
208.1922 0.4051
208.2488 0.4054
230.1936 0.3742
235.8607 0.3454
235.8607 0.3452
236.3850 0.3923
248.6138 0.2191
248.6612 0.2226
248.7323 0.1656
251.7479 0.2072
254.2181 0.4249
254.8667 0.4684
258.8375 0.3926
267.5952 0.3660
267.6172 0.3664
273.7376 0.2210
273.7806 0.2206
279.4077 0.4179
283.4716 0.3442
296.5630 0.3370
298.0700 0.4479
301.5897 0.3867
301.6483 0.3871
310.9260 0.5058
318.9012 0.3654
318.9382 0.3658
320.0085 0.3701
323.7450 0.5023
336.2508 0.4077
336.3209 0.4083
344.9231 0.4130
344.9231 0.4573
347.4774 0.4208
348.8321 0.4124
351.1903 0.2387
351.3581 0.2386
363.2383 0.3182
366.4701 0.4313
366.4701 0.4314
368.2354 0.2537
383.4510 0.3749
383.6047 0.3745
387.8841 0.5121
391.5149 0.4436
391.9664 0.4936
400.4480 0.3829
400.4480 0.3830
403.6739 0.5094
409.9058 0.4420
416.1861 0.5184
416.1861 0.6110
416.1861 0.5079
421.1148 0.5155
428.0575 0.4282
428.0575 0.4298
437.7270 0.3539
442.0159 0.4089
442.5491 0.4746
442.6823 0.4745
454.8992 0.5205
457.4839 0.5255
461.4615 0.4508
461.5893 0.4502
470.6955 0.5011
480.4885 0.3837
480.4885 0.3834
482.6920 0.5346
487.7949 0.4757
491.7671 0.5176
491.8870 0.5172
493.6815 0.4670
project conformational change on normal modes
Projmod> Version 1.36, April 2003.
Projmod> Projection of a difference vector on a set of eigenvectors.
Getnam> CERFACS file with the eigenvectors ?
Getnam> 2407051405192268459.eigenfacs
Openam> file on opening on unit 10:
2407051405192268459.eigenfacs
Getnam> Pdb file with the reference structure ?
Getnam> 2407051405192268459.atom
Openam> file on opening on unit 11:
2407051405192268459.atom
Getnam> Pdb file with the other conformer ?
Getnam> 2407051405192268459.atom2
Openam> file on opening on unit 12:
2407051405192268459.atom2
Getrep> Are the masses given in the pdb file ? (y/n)
Getrep> F
Projmod> All masses will all be assumed to be of 1.
Getrep> Displacement along one mode ? (y/n)
Getrep> F
Openam> file on opening on unit 13:
projmod.res
Openam> file on opening on unit 14:
dr.res
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Frequence du vecteur en lecture: 3.4318E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Frequence du vecteur en lecture: 3.4327E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Frequence du vecteur en lecture: 3.4330E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Frequence du vecteur en lecture: 3.4332E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Frequence du vecteur en lecture: 3.4334E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Frequence du vecteur en lecture: 3.4338E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Frequence du vecteur en lecture: 66.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Frequence du vecteur en lecture: 67.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Frequence du vecteur en lecture: 69.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Frequence du vecteur en lecture: 71.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Frequence du vecteur en lecture: 80.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Frequence du vecteur en lecture: 80.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Frequence du vecteur en lecture: 85.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Frequence du vecteur en lecture: 91.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Frequence du vecteur en lecture: 103.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Frequence du vecteur en lecture: 103.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Frequence du vecteur en lecture: 108.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Frequence du vecteur en lecture: 108.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Frequence du vecteur en lecture: 130.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Frequence du vecteur en lecture: 148.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Frequence du vecteur en lecture: 148.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Frequence du vecteur en lecture: 151.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Frequence du vecteur en lecture: 156.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Frequence du vecteur en lecture: 157.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Frequence du vecteur en lecture: 157.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Frequence du vecteur en lecture: 163.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Frequence du vecteur en lecture: 171.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Frequence du vecteur en lecture: 171.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Frequence du vecteur en lecture: 173.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Frequence du vecteur en lecture: 179.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Frequence du vecteur en lecture: 181.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Frequence du vecteur en lecture: 193.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Frequence du vecteur en lecture: 193.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Frequence du vecteur en lecture: 203.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Frequence du vecteur en lecture: 205.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Frequence du vecteur en lecture: 208.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Frequence du vecteur en lecture: 208.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Frequence du vecteur en lecture: 230.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Frequence du vecteur en lecture: 235.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Frequence du vecteur en lecture: 235.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Frequence du vecteur en lecture: 236.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Frequence du vecteur en lecture: 248.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Frequence du vecteur en lecture: 248.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Frequence du vecteur en lecture: 248.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Frequence du vecteur en lecture: 251.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Frequence du vecteur en lecture: 254.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Frequence du vecteur en lecture: 254.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Frequence du vecteur en lecture: 258.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Frequence du vecteur en lecture: 267.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Frequence du vecteur en lecture: 267.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Frequence du vecteur en lecture: 273.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Frequence du vecteur en lecture: 273.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Frequence du vecteur en lecture: 279.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Frequence du vecteur en lecture: 283.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Frequence du vecteur en lecture: 296.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Frequence du vecteur en lecture: 298.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Frequence du vecteur en lecture: 301.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Frequence du vecteur en lecture: 301.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Frequence du vecteur en lecture: 310.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Frequence du vecteur en lecture: 318.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Frequence du vecteur en lecture: 318.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Frequence du vecteur en lecture: 320.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Frequence du vecteur en lecture: 323.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Frequence du vecteur en lecture: 336.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Frequence du vecteur en lecture: 336.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Frequence du vecteur en lecture: 344.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Frequence du vecteur en lecture: 344.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Frequence du vecteur en lecture: 347.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Frequence du vecteur en lecture: 348.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Frequence du vecteur en lecture: 351.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Frequence du vecteur en lecture: 351.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Frequence du vecteur en lecture: 363.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Frequence du vecteur en lecture: 366.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Frequence du vecteur en lecture: 366.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Frequence du vecteur en lecture: 368.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Frequence du vecteur en lecture: 383.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Frequence du vecteur en lecture: 383.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Frequence du vecteur en lecture: 387.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Frequence du vecteur en lecture: 391.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Frequence du vecteur en lecture: 392.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Frequence du vecteur en lecture: 400.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Frequence du vecteur en lecture: 400.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Frequence du vecteur en lecture: 403.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Frequence du vecteur en lecture: 409.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Frequence du vecteur en lecture: 416.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Frequence du vecteur en lecture: 416.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Frequence du vecteur en lecture: 416.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Frequence du vecteur en lecture: 421.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Frequence du vecteur en lecture: 428.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Frequence du vecteur en lecture: 428.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Frequence du vecteur en lecture: 437.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Frequence du vecteur en lecture: 442.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Frequence du vecteur en lecture: 442.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Frequence du vecteur en lecture: 442.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Frequence du vecteur en lecture: 454.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Frequence du vecteur en lecture: 457.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Frequence du vecteur en lecture: 461.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Frequence du vecteur en lecture: 461.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Frequence du vecteur en lecture: 470.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Frequence du vecteur en lecture: 480.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Frequence du vecteur en lecture: 480.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Frequence du vecteur en lecture: 482.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Frequence du vecteur en lecture: 487.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Frequence du vecteur en lecture: 491.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Frequence du vecteur en lecture: 491.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Frequence du vecteur en lecture: 493.7
Projmod> 106 vectors, 37956 coordinates in file.
Rdatompdb> Reading pdb file.
Rdatompdb> End of file reached.
Rdatompdb> Number of I/O errors: 0
Rdatompdb> Number of residues found = 1560
First residue number = 32
Last residue number = 421
Number of atoms found = 12652
Mean number per residue = 8.1
Projmod> Cartesian (eigen)vectors will be studied.
Rdatompdb> Reading pdb file.
Rdatompdb> End of file reached.
Rdatompdb> Number of I/O errors: 0
Rdatompdb> Number of residues found = 1560
First residue number = 32
Last residue number = 421
Number of atoms found = 12652
Mean number per residue = 8.1
Projmod> File dr.res: displacement=f(atom number).
Projmod> 12652 atoms are considered.
Projmod> Atomic r.m.s. displacements= 67.86
Projmod> Atomic average masses = 1.00 +/- 0.00
Projmod> File projmod.res: dr.vector=f(fqcy), and cumulative square sum.
Vector: 1 F= 0.00 Cos= 0.003 Sum= 0.000 q= 20.4356
Vector: 2 F= 0.00 Cos= 0.019 Sum= 0.000 q= 144.4071
Vector: 3 F= 0.00 Cos= -0.081 Sum= 0.007 q= -614.7226
Vector: 4 F= 0.00 Cos= -0.074 Sum= 0.012 q= -568.5272
Vector: 5 F= 0.00 Cos= -0.109 Sum= 0.024 q= -834.9631
Vector: 6 F= 0.00 Cos= 0.130 Sum= 0.041 q= 993.4197
Vector: 7 F= 66.99 Cos= 0.031 Sum= 0.042 q= 233.4358
Vector: 8 F= 67.02 Cos= -0.021 Sum= 0.043 q= -159.9369
Vector: 9 F= 69.36 Cos= -0.196 Sum= 0.081 q= -1496.0606
Vector: 10 F= 71.64 Cos= -0.101 Sum= 0.091 q= -771.7453
Vector: 11 F= 80.87 Cos= 0.023 Sum= 0.092 q= 178.2445
Vector: 12 F= 80.89 Cos= -0.028 Sum= 0.093 q= -212.3668
Vector: 13 F= 85.17 Cos= -0.059 Sum= 0.096 q= -452.9440
Vector: 14 F= 91.72 Cos= 0.036 Sum= 0.097 q= 276.4535
Vector: 15 F= 103.21 Cos= 0.023 Sum= 0.098 q= 178.7474
Vector: 16 F= 103.22 Cos= -0.019 Sum= 0.098 q= -141.3952
Vector: 17 F= 108.00 Cos= 0.059 Sum= 0.102 q= 452.9828
Vector: 18 F= 108.17 Cos= -0.401 Sum= 0.263 q= -3061.4521
Vector: 19 F= 130.94 Cos= -0.437 Sum= 0.454 q= -3336.0159
Vector: 20 F= 148.33 Cos= 0.029 Sum= 0.455 q= 218.3005
Vector: 21 F= 148.33 Cos= -0.031 Sum= 0.456 q= -235.9219
Vector: 22 F= 151.56 Cos= 0.046 Sum= 0.458 q= 352.9178
Vector: 23 F= 156.42 Cos= -0.029 Sum= 0.459 q= -220.1121
Vector: 24 F= 157.77 Cos= 0.030 Sum= 0.459 q= 225.8914
Vector: 25 F= 157.77 Cos= 0.005 Sum= 0.459 q= 40.3568
Vector: 26 F= 163.67 Cos= 0.196 Sum= 0.498 q= 1497.6763
Vector: 27 F= 171.07 Cos= -0.039 Sum= 0.500 q= -299.1116
Vector: 28 F= 171.11 Cos= 0.011 Sum= 0.500 q= 84.3825
Vector: 29 F= 173.37 Cos= -0.121 Sum= 0.514 q= -925.3127
Vector: 30 F= 179.09 Cos= 0.060 Sum= 0.518 q= 454.9012
Vector: 31 F= 181.73 Cos= -0.310 Sum= 0.614 q= -2366.8237
Vector: 32 F= 193.33 Cos= -0.012 Sum= 0.614 q= -94.0404
Vector: 33 F= 193.36 Cos= -0.009 Sum= 0.614 q= -65.3694
Vector: 34 F= 203.09 Cos= -0.059 Sum= 0.618 q= -451.1753
Vector: 35 F= 205.74 Cos= -0.263 Sum= 0.687 q= -2006.7276
Vector: 36 F= 208.19 Cos= 0.011 Sum= 0.687 q= 83.3083
Vector: 37 F= 208.25 Cos= 0.000 Sum= 0.687 q= 0.6367
Vector: 38 F= 230.19 Cos= -0.112 Sum= 0.700 q= -853.0479
Vector: 39 F= 235.86 Cos= 0.010 Sum= 0.700 q= 77.9383
Vector: 40 F= 235.86 Cos= -0.004 Sum= 0.700 q= -30.7658
Vector: 41 F= 236.39 Cos= -0.018 Sum= 0.700 q= -138.0270
Vector: 42 F= 248.61 Cos= 0.029 Sum= 0.701 q= 224.5663
Vector: 43 F= 248.66 Cos= -0.014 Sum= 0.701 q= -104.8725
Vector: 44 F= 248.73 Cos= 0.127 Sum= 0.717 q= 966.9916
Vector: 45 F= 251.75 Cos= -0.062 Sum= 0.721 q= -473.8298
Vector: 46 F= 254.22 Cos= 0.065 Sum= 0.725 q= 498.4687
Vector: 47 F= 254.87 Cos= -0.098 Sum= 0.735 q= -750.1987
Vector: 48 F= 258.84 Cos= -0.038 Sum= 0.736 q= -292.9372
Vector: 49 F= 267.60 Cos= -0.002 Sum= 0.736 q= -17.9735
Vector: 50 F= 267.62 Cos= -0.012 Sum= 0.736 q= -89.4082
Vector: 51 F= 273.74 Cos= -0.013 Sum= 0.737 q= -96.7784
Vector: 52 F= 273.78 Cos= -0.005 Sum= 0.737 q= -34.7283
Vector: 53 F= 279.41 Cos= 0.023 Sum= 0.737 q= 174.4786
Vector: 54 F= 283.47 Cos= -0.047 Sum= 0.739 q= -357.5014
Vector: 55 F= 296.56 Cos= -0.027 Sum= 0.740 q= -206.8338
Vector: 56 F= 298.07 Cos= -0.062 Sum= 0.744 q= -471.1440
Vector: 57 F= 301.59 Cos= 0.000 Sum= 0.744 q= 3.5742
Vector: 58 F= 301.65 Cos= -0.010 Sum= 0.744 q= -74.0266
Vector: 59 F= 310.93 Cos= 0.005 Sum= 0.744 q= 39.2231
Vector: 60 F= 318.90 Cos= -0.027 Sum= 0.745 q= -206.9276
Vector: 61 F= 318.94 Cos= -0.003 Sum= 0.745 q= -24.6570
Vector: 62 F= 320.01 Cos= -0.041 Sum= 0.746 q= -315.6150
Vector: 63 F= 323.75 Cos= -0.079 Sum= 0.753 q= -606.4586
Vector: 64 F= 336.25 Cos= -0.012 Sum= 0.753 q= -92.2452
Vector: 65 F= 336.32 Cos= -0.006 Sum= 0.753 q= -42.5153
Vector: 66 F= 344.92 Cos= 0.092 Sum= 0.761 q= 703.2083
Vector: 67 F= 344.92 Cos= -0.017 Sum= 0.762 q= -128.1446
Vector: 68 F= 347.48 Cos= 0.091 Sum= 0.770 q= 697.0573
Vector: 69 F= 348.83 Cos= -0.213 Sum= 0.816 q= -1628.2596
Vector: 70 F= 351.19 Cos= -0.005 Sum= 0.816 q= -40.0556
Vector: 71 F= 351.36 Cos= 0.002 Sum= 0.816 q= 13.0808
Vector: 72 F= 363.24 Cos= -0.090 Sum= 0.824 q= -683.6870
Vector: 73 F= 366.47 Cos= -0.005 Sum= 0.824 q= -36.3796
Vector: 74 F= 366.47 Cos= 0.004 Sum= 0.824 q= 29.2890
Vector: 75 F= 368.24 Cos= -0.028 Sum= 0.824 q= -211.6915
Vector: 76 F= 383.45 Cos= 0.001 Sum= 0.824 q= 5.6246
Vector: 77 F= 383.60 Cos= 0.001 Sum= 0.824 q= 4.8076
Vector: 78 F= 387.88 Cos= -0.018 Sum= 0.825 q= -133.7022
Vector: 79 F= 391.51 Cos= -0.008 Sum= 0.825 q= -59.2644
Vector: 80 F= 391.97 Cos= 0.075 Sum= 0.830 q= 574.6357
Vector: 81 F= 400.45 Cos= -0.004 Sum= 0.831 q= -28.8633
Vector: 82 F= 400.45 Cos= -0.007 Sum= 0.831 q= -54.1228
Vector: 83 F= 403.67 Cos= 0.025 Sum= 0.831 q= 193.9808
Vector: 84 F= 409.91 Cos= 0.005 Sum= 0.831 q= 40.0684
Vector: 85 F= 416.19 Cos= -0.068 Sum= 0.836 q= -520.5773
Vector: 86 F= 416.19 Cos= -0.002 Sum= 0.836 q= -11.7433
Vector: 87 F= 416.19 Cos= -0.082 Sum= 0.843 q= -625.5008
Vector: 88 F= 421.11 Cos= -0.005 Sum= 0.843 q= -39.3984
Vector: 89 F= 428.06 Cos= 0.010 Sum= 0.843 q= 72.6484
Vector: 90 F= 428.06 Cos= 0.003 Sum= 0.843 q= 20.4215
Vector: 91 F= 437.73 Cos= -0.028 Sum= 0.844 q= -212.8465
Vector: 92 F= 442.02 Cos= -0.000 Sum= 0.844 q= -2.2597
Vector: 93 F= 442.55 Cos= 0.002 Sum= 0.844 q= 18.1533
Vector: 94 F= 442.68 Cos= 0.002 Sum= 0.844 q= 18.5626
Vector: 95 F= 454.90 Cos= 0.184 Sum= 0.877 q= 1401.1230
Vector: 96 F= 457.48 Cos= -0.008 Sum= 0.877 q= -58.0965
Vector: 97 F= 461.46 Cos= -0.001 Sum= 0.877 q= -11.0311
Vector: 98 F= 461.59 Cos= 0.015 Sum= 0.877 q= 110.6947
Vector: 99 F= 470.70 Cos= -0.026 Sum= 0.878 q= -196.1895
Vector: 100 F= 480.49 Cos= 0.006 Sum= 0.878 q= 47.6884
Vector: 101 F= 480.49 Cos= 0.002 Sum= 0.878 q= 18.7804
Vector: 102 F= 482.69 Cos= 0.098 Sum= 0.888 q= 751.3481
Vector: 103 F= 487.79 Cos= -0.006 Sum= 0.888 q= -43.3417
Vector: 104 F= 491.77 Cos= -0.009 Sum= 0.888 q= -68.6946
Vector: 105 F= 491.89 Cos= 0.000 Sum= 0.888 q= 1.8529
Vector: 106 F= 493.68 Cos= -0.010 Sum= 0.888 q= -76.8548
Projmod> Best zero-frequency found : 0.003432
Projmod> 6 frequencies less than: 0.003434
Projmod> Lowest non-zero frequency : 66.990162
Projmod> Best overlap with diff.vect. = -0.44 for mode 19 with F= 130.94 cm-1.
Projmod> 1-3-6-9-12-all-best contrb. = 0.191 0.448 0.601 0.690 0.734 0.888
Projmod> Normal end.
getting mode 7
running: ../../bin/get_modes.sh 2407051405192268459 7 -1000 1000 20 on on
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-1000
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-980
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-960
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-940
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-920
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-900
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-880
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-860
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-840
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-820
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-800
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-780
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-760
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-740
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-720
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-700
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-680
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-660
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-640
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-620
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-600
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-580
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-560
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-540
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-520
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-500
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-480
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-460
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-440
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-420
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-400
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-380
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-360
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-340
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-320
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-300
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-280
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-260
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-240
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-220
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-200
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-180
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-160
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-140
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-120
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-100
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-80
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-60
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-40
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-20
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=0
2407051405192268459.eigenfacs
2407051405192268459.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2407051405192268459.7.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2407051405192268459.7.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2407051405192268459.7.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
compute RMSD to second conformer
MODEL 1 MODE=7 DQ=-1000 390 9.032 50 2.044
MODEL 2 MODE=7 DQ=-980 390 8.962 50 2.010
MODEL 3 MODE=7 DQ=-960 390 8.894 48 1.936
MODEL 4 MODE=7 DQ=-940 390 8.827 118 1.406
MODEL 5 MODE=7 DQ=-920 390 8.761 119 1.368
MODEL 6 MODE=7 DQ=-900 390 8.696 118 1.303
MODEL 7 MODE=7 DQ=-880 390 8.633 50 2.013
MODEL 8 MODE=7 DQ=-860 390 8.570 50 1.978
MODEL 9 MODE=7 DQ=-840 390 8.510 52 1.973
MODEL 10 MODE=7 DQ=-820 390 8.450 52 1.939
MODEL 11 MODE=7 DQ=-800 390 8.392 120 1.155
MODEL 12 MODE=7 DQ=-780 390 8.335 55 1.935
MODEL 13 MODE=7 DQ=-760 390 8.280 56 1.929
MODEL 14 MODE=7 DQ=-740 390 8.227 54 1.888
MODEL 15 MODE=7 DQ=-720 390 8.174 54 1.859
MODEL 16 MODE=7 DQ=-700 390 8.124 54 1.835
MODEL 17 MODE=7 DQ=-680 390 8.075 54 1.808
MODEL 18 MODE=7 DQ=-660 390 8.027 122 1.021
MODEL 19 MODE=7 DQ=-640 390 7.982 121 1.088
MODEL 20 MODE=7 DQ=-620 390 7.937 121 1.074
MODEL 21 MODE=7 DQ=-600 390 7.895 121 0.960
MODEL 22 MODE=7 DQ=-580 390 7.854 121 0.972
MODEL 23 MODE=7 DQ=-560 390 7.815 120 1.233
MODEL 24 MODE=7 DQ=-540 390 7.778 122 0.977
MODEL 25 MODE=7 DQ=-520 390 7.742 121 0.923
MODEL 26 MODE=7 DQ=-500 390 7.709 48 2.140
MODEL 27 MODE=7 DQ=-480 390 7.677 124 1.111
MODEL 28 MODE=7 DQ=-460 390 7.647 75 2.193
MODEL 29 MODE=7 DQ=-440 390 7.619 55 2.100
MODEL 30 MODE=7 DQ=-420 390 7.593 54 2.028
MODEL 31 MODE=7 DQ=-400 390 7.569 61 1.993
MODEL 32 MODE=7 DQ=-380 390 7.546 71 2.060
MODEL 33 MODE=7 DQ=-360 390 7.526 75 2.032
MODEL 34 MODE=7 DQ=-340 390 7.508 79 2.063
MODEL 35 MODE=7 DQ=-320 390 7.491 75 2.010
MODEL 36 MODE=7 DQ=-300 390 7.477 81 2.011
MODEL 37 MODE=7 DQ=-280 390 7.465 82 1.991
MODEL 38 MODE=7 DQ=-260 390 7.454 82 1.964
MODEL 39 MODE=7 DQ=-240 390 7.446 83 1.963
MODEL 40 MODE=7 DQ=-220 390 7.440 128 1.972
MODEL 41 MODE=7 DQ=-200 390 7.436 86 1.914
MODEL 42 MODE=7 DQ=-180 390 7.433 82 1.981
MODEL 43 MODE=7 DQ=-160 390 7.433 89 1.946
MODEL 44 MODE=7 DQ=-140 390 7.435 89 2.040
MODEL 45 MODE=7 DQ=-120 390 7.439 137 1.971
MODEL 46 MODE=7 DQ=-100 390 7.445 136 1.958
MODEL 47 MODE=7 DQ=-80 390 7.454 138 1.994
MODEL 48 MODE=7 DQ=-60 390 7.464 81 2.160
MODEL 49 MODE=7 DQ=-40 390 7.476 137 1.989
MODEL 50 MODE=7 DQ=-20 390 7.490 82 2.159
MODEL 51 MODE=7 DQ=0 390 7.506 82 2.116
getting mode 8
running: ../../bin/get_modes.sh 2407051405192268459 8 -1000 1000 20 on on
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-1000
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-980
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-960
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-940
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-920
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-900
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-880
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-860
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-840
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-820
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-800
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-780
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-760
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-740
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-720
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-700
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-680
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-660
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-640
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-620
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-600
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-580
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-560
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-540
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-520
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-500
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-480
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-460
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-440
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-420
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-400
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-380
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-360
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-340
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-320
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-300
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-280
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-260
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-240
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-220
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-200
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-180
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-160
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-140
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-120
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-100
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-80
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-60
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-40
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-20
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=0
2407051405192268459.eigenfacs
2407051405192268459.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2407051405192268459.8.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2407051405192268459.8.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2407051405192268459.8.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
compute RMSD to second conformer
MODEL 1 MODE=8 DQ=-1000 390 11.325 90 1.302
MODEL 2 MODE=8 DQ=-980 390 11.201 90 1.308
MODEL 3 MODE=8 DQ=-960 390 11.078 90 1.292
MODEL 4 MODE=8 DQ=-940 390 10.956 94 1.376
MODEL 5 MODE=8 DQ=-920 390 10.836 94 1.364
MODEL 6 MODE=8 DQ=-900 390 10.717 97 1.407
MODEL 7 MODE=8 DQ=-880 390 10.600 98 1.413
MODEL 8 MODE=8 DQ=-860 390 10.484 97 1.372
MODEL 9 MODE=8 DQ=-840 390 10.369 95 1.306
MODEL 10 MODE=8 DQ=-820 390 10.256 94 1.263
MODEL 11 MODE=8 DQ=-800 390 10.145 98 1.360
MODEL 12 MODE=8 DQ=-780 390 10.035 98 1.343
MODEL 13 MODE=8 DQ=-760 390 9.927 103 1.446
MODEL 14 MODE=8 DQ=-740 390 9.820 104 1.450
MODEL 15 MODE=8 DQ=-720 390 9.715 104 1.434
MODEL 16 MODE=8 DQ=-700 390 9.612 103 1.400
MODEL 17 MODE=8 DQ=-680 390 9.511 102 1.365
MODEL 18 MODE=8 DQ=-660 390 9.412 105 1.417
MODEL 19 MODE=8 DQ=-640 390 9.314 109 1.485
MODEL 20 MODE=8 DQ=-620 390 9.219 109 1.470
MODEL 21 MODE=8 DQ=-600 390 9.126 108 1.435
MODEL 22 MODE=8 DQ=-580 390 9.034 111 1.486
MODEL 23 MODE=8 DQ=-560 390 8.945 107 1.396
MODEL 24 MODE=8 DQ=-540 390 8.858 112 1.476
MODEL 25 MODE=8 DQ=-520 390 8.773 112 1.466
MODEL 26 MODE=8 DQ=-500 390 8.691 113 1.478
MODEL 27 MODE=8 DQ=-480 390 8.610 113 1.467
MODEL 28 MODE=8 DQ=-460 390 8.533 112 1.444
MODEL 29 MODE=8 DQ=-440 390 8.457 112 1.434
MODEL 30 MODE=8 DQ=-420 390 8.384 111 1.416
MODEL 31 MODE=8 DQ=-400 390 8.314 113 1.448
MODEL 32 MODE=8 DQ=-380 390 8.246 112 1.435
MODEL 33 MODE=8 DQ=-360 390 8.181 112 1.447
MODEL 34 MODE=8 DQ=-340 390 8.118 58 2.280
MODEL 35 MODE=8 DQ=-320 390 8.059 59 2.297
MODEL 36 MODE=8 DQ=-300 390 8.002 111 1.500
MODEL 37 MODE=8 DQ=-280 390 7.947 111 1.535
MODEL 38 MODE=8 DQ=-260 390 7.896 57 2.223
MODEL 39 MODE=8 DQ=-240 390 7.848 88 1.948
MODEL 40 MODE=8 DQ=-220 390 7.802 90 2.054
MODEL 41 MODE=8 DQ=-200 390 7.760 93 2.027
MODEL 42 MODE=8 DQ=-180 390 7.720 97 2.001
MODEL 43 MODE=8 DQ=-160 390 7.684 101 2.001
MODEL 44 MODE=8 DQ=-140 390 7.651 104 2.053
MODEL 45 MODE=8 DQ=-120 390 7.621 108 2.095
MODEL 46 MODE=8 DQ=-100 390 7.594 83 2.176
MODEL 47 MODE=8 DQ=-80 390 7.570 82 2.143
MODEL 48 MODE=8 DQ=-60 390 7.549 83 2.152
MODEL 49 MODE=8 DQ=-40 390 7.531 83 2.128
MODEL 50 MODE=8 DQ=-20 390 7.517 82 2.117
MODEL 51 MODE=8 DQ=0 390 7.506 82 2.116
getting mode 9
running: ../../bin/get_modes.sh 2407051405192268459 9 -1000 1000 20 on on
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-1000
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-980
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-960
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-940
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-920
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-900
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-880
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-860
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-840
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-820
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-800
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-780
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-760
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-740
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-720
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-700
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-680
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-660
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-640
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-620
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-600
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-580
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-560
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-540
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-520
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-500
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-480
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-460
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-440
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-420
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-400
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-380
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-360
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-340
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-320
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-300
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-280
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-260
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-240
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-220
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-200
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-180
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-160
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-140
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-120
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-100
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-80
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-60
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-40
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-20
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=0
2407051405192268459.eigenfacs
2407051405192268459.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2407051405192268459.9.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2407051405192268459.9.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2407051405192268459.9.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
compute RMSD to second conformer
MODEL 1 MODE=9 DQ=-1000 390 10.119 116 1.255
MODEL 2 MODE=9 DQ=-980 390 10.053 117 1.073
MODEL 3 MODE=9 DQ=-960 390 9.988 118 1.347
MODEL 4 MODE=9 DQ=-940 390 9.923 118 1.344
MODEL 5 MODE=9 DQ=-920 390 9.858 119 1.260
MODEL 6 MODE=9 DQ=-900 390 9.793 116 1.283
MODEL 7 MODE=9 DQ=-880 390 9.729 115 1.250
MODEL 8 MODE=9 DQ=-860 390 9.665 115 1.247
MODEL 9 MODE=9 DQ=-840 390 9.602 115 1.244
MODEL 10 MODE=9 DQ=-820 390 9.539 116 1.010
MODEL 11 MODE=9 DQ=-800 390 9.476 116 1.008
MODEL 12 MODE=9 DQ=-780 390 9.414 116 1.006
MODEL 13 MODE=9 DQ=-760 390 9.352 115 0.963
MODEL 14 MODE=9 DQ=-740 390 9.291 115 1.021
MODEL 15 MODE=9 DQ=-720 390 9.230 115 1.019
MODEL 16 MODE=9 DQ=-700 390 9.170 113 1.000
MODEL 17 MODE=9 DQ=-680 390 9.110 115 1.015
MODEL 18 MODE=9 DQ=-660 390 9.051 111 0.743
MODEL 19 MODE=9 DQ=-640 390 8.992 106 1.569
MODEL 20 MODE=9 DQ=-620 390 8.933 107 1.574
MODEL 21 MODE=9 DQ=-600 390 8.876 106 1.564
MODEL 22 MODE=9 DQ=-580 390 8.819 106 1.682
MODEL 23 MODE=9 DQ=-560 390 8.762 108 1.752
MODEL 24 MODE=9 DQ=-540 390 8.706 110 1.782
MODEL 25 MODE=9 DQ=-520 390 8.651 113 1.834
MODEL 26 MODE=9 DQ=-500 390 8.596 116 1.713
MODEL 27 MODE=9 DQ=-480 390 8.542 117 1.740
MODEL 28 MODE=9 DQ=-460 390 8.488 119 1.838
MODEL 29 MODE=9 DQ=-440 390 8.436 124 1.822
MODEL 30 MODE=9 DQ=-420 390 8.384 127 1.816
MODEL 31 MODE=9 DQ=-400 390 8.333 129 1.861
MODEL 32 MODE=9 DQ=-380 390 8.282 131 1.862
MODEL 33 MODE=9 DQ=-360 390 8.233 134 1.882
MODEL 34 MODE=9 DQ=-340 390 8.184 133 1.854
MODEL 35 MODE=9 DQ=-320 390 8.136 133 1.839
MODEL 36 MODE=9 DQ=-300 390 8.089 134 1.844
MODEL 37 MODE=9 DQ=-280 390 8.043 133 1.821
MODEL 38 MODE=9 DQ=-260 390 7.998 132 1.801
MODEL 39 MODE=9 DQ=-240 390 7.953 133 1.807
MODEL 40 MODE=9 DQ=-220 390 7.910 135 1.832
MODEL 41 MODE=9 DQ=-200 390 7.868 135 1.826
MODEL 42 MODE=9 DQ=-180 390 7.827 136 1.841
MODEL 43 MODE=9 DQ=-160 390 7.786 135 1.836
MODEL 44 MODE=9 DQ=-140 390 7.747 134 1.834
MODEL 45 MODE=9 DQ=-120 390 7.709 134 1.856
MODEL 46 MODE=9 DQ=-100 390 7.672 132 1.894
MODEL 47 MODE=9 DQ=-80 390 7.637 86 2.134
MODEL 48 MODE=9 DQ=-60 390 7.602 85 2.119
MODEL 49 MODE=9 DQ=-40 390 7.569 83 2.157
MODEL 50 MODE=9 DQ=-20 390 7.537 83 2.153
MODEL 51 MODE=9 DQ=0 390 7.506 82 2.116
getting mode 10
running: ../../bin/get_modes.sh 2407051405192268459 10 -1000 1000 20 on on
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-1000
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-980
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-960
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-940
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-920
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-900
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-880
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-860
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-840
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-820
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-800
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-780
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-760
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-740
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-720
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-700
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-680
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-660
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-640
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-620
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-600
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-580
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-560
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-540
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-520
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-500
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-480
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-460
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-440
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-420
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-400
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-380
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-360
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-340
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-320
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-300
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-280
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-260
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-240
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-220
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-200
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-180
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-160
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-140
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-120
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-100
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-80
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-60
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-40
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-20
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=0
2407051405192268459.eigenfacs
2407051405192268459.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2407051405192268459.10.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2407051405192268459.10.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2407051405192268459.10.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
compute RMSD to second conformer
MODEL 1 MODE=10 DQ=-1000 390 9.615 154 1.791
MODEL 2 MODE=10 DQ=-980 390 9.548 163 1.811
MODEL 3 MODE=10 DQ=-960 390 9.482 167 1.782
MODEL 4 MODE=10 DQ=-940 390 9.416 171 1.761
MODEL 5 MODE=10 DQ=-920 390 9.351 172 1.712
MODEL 6 MODE=10 DQ=-900 390 9.286 173 1.664
MODEL 7 MODE=10 DQ=-880 390 9.223 174 1.619
MODEL 8 MODE=10 DQ=-860 390 9.160 174 1.566
MODEL 9 MODE=10 DQ=-840 390 9.098 174 1.526
MODEL 10 MODE=10 DQ=-820 390 9.036 175 1.484
MODEL 11 MODE=10 DQ=-800 390 8.976 175 1.441
MODEL 12 MODE=10 DQ=-780 390 8.916 175 1.492
MODEL 13 MODE=10 DQ=-760 390 8.857 177 1.454
MODEL 14 MODE=10 DQ=-740 390 8.799 177 1.415
MODEL 15 MODE=10 DQ=-720 390 8.742 175 1.357
MODEL 16 MODE=10 DQ=-700 390 8.685 176 1.321
MODEL 17 MODE=10 DQ=-680 390 8.630 178 1.335
MODEL 18 MODE=10 DQ=-660 390 8.576 177 1.305
MODEL 19 MODE=10 DQ=-640 390 8.522 177 1.296
MODEL 20 MODE=10 DQ=-620 390 8.470 176 1.277
MODEL 21 MODE=10 DQ=-600 390 8.419 177 1.292
MODEL 22 MODE=10 DQ=-580 390 8.368 177 1.297
MODEL 23 MODE=10 DQ=-560 390 8.319 181 1.359
MODEL 24 MODE=10 DQ=-540 390 8.271 182 1.378
MODEL 25 MODE=10 DQ=-520 390 8.224 180 1.359
MODEL 26 MODE=10 DQ=-500 390 8.179 182 1.400
MODEL 27 MODE=10 DQ=-480 390 8.134 182 1.421
MODEL 28 MODE=10 DQ=-460 390 8.091 182 1.448
MODEL 29 MODE=10 DQ=-440 390 8.049 189 1.554
MODEL 30 MODE=10 DQ=-420 390 8.009 194 1.629
MODEL 31 MODE=10 DQ=-400 390 7.969 193 1.650
MODEL 32 MODE=10 DQ=-380 390 7.931 193 1.685
MODEL 33 MODE=10 DQ=-360 390 7.895 193 1.722
MODEL 34 MODE=10 DQ=-340 390 7.860 194 1.737
MODEL 35 MODE=10 DQ=-320 390 7.826 194 1.773
MODEL 36 MODE=10 DQ=-300 390 7.794 194 1.819
MODEL 37 MODE=10 DQ=-280 390 7.763 194 1.874
MODEL 38 MODE=10 DQ=-260 390 7.734 193 1.923
MODEL 39 MODE=10 DQ=-240 390 7.706 189 1.953
MODEL 40 MODE=10 DQ=-220 390 7.680 179 1.942
MODEL 41 MODE=10 DQ=-200 390 7.656 172 1.962
MODEL 42 MODE=10 DQ=-180 390 7.633 161 1.926
MODEL 43 MODE=10 DQ=-160 390 7.612 169 2.091
MODEL 44 MODE=10 DQ=-140 390 7.593 165 2.125
MODEL 45 MODE=10 DQ=-120 390 7.575 156 2.096
MODEL 46 MODE=10 DQ=-100 390 7.559 141 2.080
MODEL 47 MODE=10 DQ=-80 390 7.545 137 1.971
MODEL 48 MODE=10 DQ=-60 390 7.533 91 2.092
MODEL 49 MODE=10 DQ=-40 390 7.522 89 2.100
MODEL 50 MODE=10 DQ=-20 390 7.513 88 2.133
MODEL 51 MODE=10 DQ=0 390 7.506 82 2.116
getting mode 11
running: ../../bin/get_modes.sh 2407051405192268459 11 -1000 1000 20 on on
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-1000
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-980
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-960
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-940
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-920
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-900
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-880
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-860
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-840
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-820
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-800
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-780
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-760
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-740
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-720
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-700
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-680
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-660
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-640
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-620
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-600
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-580
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-560
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-540
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-520
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-500
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-480
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-460
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-440
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-420
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-400
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-380
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-360
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-340
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-320
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-300
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-280
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-260
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-240
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-220
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-200
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-180
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-160
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-140
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-120
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-100
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-80
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-60
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-40
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-20
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=0
2407051405192268459.eigenfacs
2407051405192268459.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2407051405192268459.11.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2407051405192268459.11.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2407051405192268459.11.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
compute RMSD to second conformer
MODEL 1 MODE=11 DQ=-1000 390 9.313 27 1.798
MODEL 2 MODE=11 DQ=-980 390 9.208 28 1.931
MODEL 3 MODE=11 DQ=-960 390 9.106 27 1.762
MODEL 4 MODE=11 DQ=-940 390 9.005 27 1.677
MODEL 5 MODE=11 DQ=-920 390 8.907 29 1.810
MODEL 6 MODE=11 DQ=-900 390 8.810 25 2.029
MODEL 7 MODE=11 DQ=-880 390 8.715 29 1.755
MODEL 8 MODE=11 DQ=-860 390 8.623 29 1.740
MODEL 9 MODE=11 DQ=-840 390 8.532 29 1.948
MODEL 10 MODE=11 DQ=-820 390 8.444 25 2.034
MODEL 11 MODE=11 DQ=-800 390 8.358 26 2.030
MODEL 12 MODE=11 DQ=-780 390 8.275 26 1.927
MODEL 13 MODE=11 DQ=-760 390 8.194 27 2.011
MODEL 14 MODE=11 DQ=-740 390 8.115 28 2.019
MODEL 15 MODE=11 DQ=-720 390 8.039 29 2.024
MODEL 16 MODE=11 DQ=-700 390 7.966 30 2.009
MODEL 17 MODE=11 DQ=-680 390 7.895 29 1.926
MODEL 18 MODE=11 DQ=-660 390 7.827 128 1.080
MODEL 19 MODE=11 DQ=-640 390 7.763 29 1.912
MODEL 20 MODE=11 DQ=-620 390 7.701 125 0.988
MODEL 21 MODE=11 DQ=-600 390 7.642 128 1.043
MODEL 22 MODE=11 DQ=-580 390 7.586 127 1.006
MODEL 23 MODE=11 DQ=-560 390 7.534 127 1.002
MODEL 24 MODE=11 DQ=-540 390 7.484 127 1.001
MODEL 25 MODE=11 DQ=-520 390 7.438 127 1.003
MODEL 26 MODE=11 DQ=-500 390 7.396 127 1.009
MODEL 27 MODE=11 DQ=-480 390 7.356 127 1.019
MODEL 28 MODE=11 DQ=-460 390 7.320 122 0.919
MODEL 29 MODE=11 DQ=-440 390 7.288 126 1.008
MODEL 30 MODE=11 DQ=-420 390 7.260 49 2.039
MODEL 31 MODE=11 DQ=-400 390 7.234 55 2.118
MODEL 32 MODE=11 DQ=-380 390 7.213 56 2.066
MODEL 33 MODE=11 DQ=-360 390 7.195 63 2.062
MODEL 34 MODE=11 DQ=-340 390 7.181 79 2.108
MODEL 35 MODE=11 DQ=-320 390 7.171 81 2.075
MODEL 36 MODE=11 DQ=-300 390 7.164 79 1.945
MODEL 37 MODE=11 DQ=-280 390 7.161 83 1.905
MODEL 38 MODE=11 DQ=-260 390 7.162 86 1.896
MODEL 39 MODE=11 DQ=-240 390 7.167 92 1.929
MODEL 40 MODE=11 DQ=-220 390 7.175 93 1.908
MODEL 41 MODE=11 DQ=-200 390 7.187 95 1.920
MODEL 42 MODE=11 DQ=-180 390 7.203 99 1.967
MODEL 43 MODE=11 DQ=-160 390 7.223 100 1.981
MODEL 44 MODE=11 DQ=-140 390 7.246 133 2.019
MODEL 45 MODE=11 DQ=-120 390 7.272 97 2.014
MODEL 46 MODE=11 DQ=-100 390 7.303 136 2.033
MODEL 47 MODE=11 DQ=-80 390 7.337 144 2.052
MODEL 48 MODE=11 DQ=-60 390 7.374 140 2.016
MODEL 49 MODE=11 DQ=-40 390 7.415 86 2.131
MODEL 50 MODE=11 DQ=-20 390 7.459 85 2.134
MODEL 51 MODE=11 DQ=0 390 7.506 82 2.116
getting mode 12
running: ../../bin/get_modes.sh 2407051405192268459 12 -1000 1000 20 on on
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-1000
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-980
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-960
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-940
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-920
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-900
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-880
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-860
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-840
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-820
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-800
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-780
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-760
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-740
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-720
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-700
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-680
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-660
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-640
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-620
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-600
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-580
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-560
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-540
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-520
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-500
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-480
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-460
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-440
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-420
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-400
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-380
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-360
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-340
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-320
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-300
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-280
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-260
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-240
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-220
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-200
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-180
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-160
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-140
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-120
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-100
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-80
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-60
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-40
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-20
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=0
2407051405192268459.eigenfacs
2407051405192268459.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2407051405192268459.12.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2407051405192268459.12.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2407051405192268459.12.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
compute RMSD to second conformer
MODEL 1 MODE=12 DQ=-1000 390 11.194 105 1.256
MODEL 2 MODE=12 DQ=-980 390 11.105 106 1.305
MODEL 3 MODE=12 DQ=-960 390 11.017 105 1.017
MODEL 4 MODE=12 DQ=-940 390 10.928 106 0.946
MODEL 5 MODE=12 DQ=-920 390 10.841 106 0.905
MODEL 6 MODE=12 DQ=-900 390 10.753 106 1.314
MODEL 7 MODE=12 DQ=-880 390 10.667 109 1.291
MODEL 8 MODE=12 DQ=-860 390 10.580 109 1.394
MODEL 9 MODE=12 DQ=-840 390 10.494 110 1.356
MODEL 10 MODE=12 DQ=-820 390 10.409 112 1.327
MODEL 11 MODE=12 DQ=-800 390 10.324 116 1.435
MODEL 12 MODE=12 DQ=-780 390 10.239 118 1.464
MODEL 13 MODE=12 DQ=-760 390 10.155 117 1.382
MODEL 14 MODE=12 DQ=-740 390 10.072 119 1.406
MODEL 15 MODE=12 DQ=-720 390 9.989 115 1.414
MODEL 16 MODE=12 DQ=-700 390 9.906 122 1.369
MODEL 17 MODE=12 DQ=-680 390 9.824 75 1.319
MODEL 18 MODE=12 DQ=-660 390 9.743 75 1.219
MODEL 19 MODE=12 DQ=-640 390 9.662 20 2.136
MODEL 20 MODE=12 DQ=-620 390 9.582 75 1.246
MODEL 21 MODE=12 DQ=-600 390 9.502 114 1.358
MODEL 22 MODE=12 DQ=-580 390 9.423 118 1.035
MODEL 23 MODE=12 DQ=-560 390 9.345 125 1.189
MODEL 24 MODE=12 DQ=-540 390 9.267 111 1.050
MODEL 25 MODE=12 DQ=-520 390 9.190 114 1.321
MODEL 26 MODE=12 DQ=-500 390 9.114 117 1.507
MODEL 27 MODE=12 DQ=-480 390 9.038 120 1.387
MODEL 28 MODE=12 DQ=-460 390 8.963 134 1.272
MODEL 29 MODE=12 DQ=-440 390 8.889 138 1.338
MODEL 30 MODE=12 DQ=-420 390 8.816 138 1.325
MODEL 31 MODE=12 DQ=-400 390 8.743 138 1.318
MODEL 32 MODE=12 DQ=-380 390 8.671 139 1.337
MODEL 33 MODE=12 DQ=-360 390 8.601 139 1.340
MODEL 34 MODE=12 DQ=-340 390 8.531 139 1.355
MODEL 35 MODE=12 DQ=-320 390 8.462 142 1.414
MODEL 36 MODE=12 DQ=-300 390 8.394 141 1.418
MODEL 37 MODE=12 DQ=-280 390 8.326 144 1.484
MODEL 38 MODE=12 DQ=-260 390 8.260 144 1.509
MODEL 39 MODE=12 DQ=-240 390 8.195 143 1.523
MODEL 40 MODE=12 DQ=-220 390 8.131 143 1.558
MODEL 41 MODE=12 DQ=-200 390 8.068 144 1.610
MODEL 42 MODE=12 DQ=-180 390 8.006 145 1.663
MODEL 43 MODE=12 DQ=-160 390 7.946 145 1.706
MODEL 44 MODE=12 DQ=-140 390 7.886 143 1.728
MODEL 45 MODE=12 DQ=-120 390 7.828 142 1.764
MODEL 46 MODE=12 DQ=-100 390 7.771 143 1.827
MODEL 47 MODE=12 DQ=-80 390 7.715 138 1.844
MODEL 48 MODE=12 DQ=-60 390 7.661 84 2.129
MODEL 49 MODE=12 DQ=-40 390 7.608 90 2.182
MODEL 50 MODE=12 DQ=-20 390 7.556 81 2.142
MODEL 51 MODE=12 DQ=0 390 7.506 82 2.116
getting mode 13
running: ../../bin/get_modes.sh 2407051405192268459 13 -1000 1000 20 on on
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-1000
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-980
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-960
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-940
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-920
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-900
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-880
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-860
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-840
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-820
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-800
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-780
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-760
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-740
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-720
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-700
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-680
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-660
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-640
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-620
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-600
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-580
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-560
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-540
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-520
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-500
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-480
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-460
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-440
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-420
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-400
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-380
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-360
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-340
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-320
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-300
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-280
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-260
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-240
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-220
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-200
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-180
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-160
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-140
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-120
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-100
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-80
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-60
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-40
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-20
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=0
2407051405192268459.eigenfacs
2407051405192268459.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2407051405192268459.13.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2407051405192268459.13.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2407051405192268459.13.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
compute RMSD to second conformer
MODEL 1 MODE=13 DQ=-1000 390 9.455 112 0.767
MODEL 2 MODE=13 DQ=-980 390 9.368 112 0.765
MODEL 3 MODE=13 DQ=-960 390 9.281 111 0.719
MODEL 4 MODE=13 DQ=-940 390 9.197 112 0.762
MODEL 5 MODE=13 DQ=-920 390 9.113 111 0.716
MODEL 6 MODE=13 DQ=-900 390 9.031 112 0.759
MODEL 7 MODE=13 DQ=-880 390 8.951 111 1.157
MODEL 8 MODE=13 DQ=-860 390 8.872 111 1.176
MODEL 9 MODE=13 DQ=-840 390 8.795 111 1.199
MODEL 10 MODE=13 DQ=-820 390 8.719 111 1.225
MODEL 11 MODE=13 DQ=-800 390 8.645 110 0.650
MODEL 12 MODE=13 DQ=-780 390 8.573 111 0.863
MODEL 13 MODE=13 DQ=-760 390 8.503 111 0.862
MODEL 14 MODE=13 DQ=-740 390 8.434 111 0.860
MODEL 15 MODE=13 DQ=-720 390 8.367 111 0.859
MODEL 16 MODE=13 DQ=-700 390 8.302 111 0.704
MODEL 17 MODE=13 DQ=-680 390 8.240 112 0.765
MODEL 18 MODE=13 DQ=-660 390 8.179 111 0.757
MODEL 19 MODE=13 DQ=-640 390 8.120 111 0.702
MODEL 20 MODE=13 DQ=-620 390 8.063 110 0.738
MODEL 21 MODE=13 DQ=-600 390 8.008 111 0.701
MODEL 22 MODE=13 DQ=-580 390 7.956 112 0.774
MODEL 23 MODE=13 DQ=-560 390 7.905 112 0.774
MODEL 24 MODE=13 DQ=-540 390 7.857 111 0.682
MODEL 25 MODE=13 DQ=-520 390 7.812 95 1.982
MODEL 26 MODE=13 DQ=-500 390 7.768 102 2.098
MODEL 27 MODE=13 DQ=-480 390 7.727 109 2.091
MODEL 28 MODE=13 DQ=-460 390 7.688 114 2.091
MODEL 29 MODE=13 DQ=-440 390 7.652 124 2.098
MODEL 30 MODE=13 DQ=-420 390 7.618 129 2.092
MODEL 31 MODE=13 DQ=-400 390 7.587 131 2.067
MODEL 32 MODE=13 DQ=-380 390 7.558 134 2.059
MODEL 33 MODE=13 DQ=-360 390 7.531 135 2.036
MODEL 34 MODE=13 DQ=-340 390 7.507 138 2.036
MODEL 35 MODE=13 DQ=-320 390 7.486 142 2.043
MODEL 36 MODE=13 DQ=-300 390 7.468 142 2.031
MODEL 37 MODE=13 DQ=-280 390 7.452 142 2.015
MODEL 38 MODE=13 DQ=-260 390 7.438 145 2.031
MODEL 39 MODE=13 DQ=-240 390 7.428 143 2.013
MODEL 40 MODE=13 DQ=-220 390 7.420 149 2.008
MODEL 41 MODE=13 DQ=-200 390 7.414 149 2.001
MODEL 42 MODE=13 DQ=-180 390 7.411 149 2.001
MODEL 43 MODE=13 DQ=-160 390 7.411 155 2.036
MODEL 44 MODE=13 DQ=-140 390 7.414 159 2.038
MODEL 45 MODE=13 DQ=-120 390 7.419 146 2.003
MODEL 46 MODE=13 DQ=-100 390 7.427 147 2.000
MODEL 47 MODE=13 DQ=-80 390 7.438 143 1.990
MODEL 48 MODE=13 DQ=-60 390 7.451 144 1.987
MODEL 49 MODE=13 DQ=-40 390 7.467 89 2.171
MODEL 50 MODE=13 DQ=-20 390 7.485 82 2.117
MODEL 51 MODE=13 DQ=0 390 7.506 82 2.116
getting mode 14
running: ../../bin/get_modes.sh 2407051405192268459 14 -1000 1000 20 on on
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-1000
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-980
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-960
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-940
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-920
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-900
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-880
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-860
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-840
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-820
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-800
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-780
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-760
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-740
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-720
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-700
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-680
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-660
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-640
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-620
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-600
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-580
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-560
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-540
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-520
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-500
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-480
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-460
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-440
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-420
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-400
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-380
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-360
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-340
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-320
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-300
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-280
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-260
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-240
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-220
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-200
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-180
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-160
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-140
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-120
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-100
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-80
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-60
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-40
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-20
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=0
2407051405192268459.eigenfacs
2407051405192268459.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2407051405192268459.14.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2407051405192268459.14.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2407051405192268459.14.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
compute RMSD to second conformer
MODEL 1 MODE=14 DQ=-1000 390 10.359 141 1.458
MODEL 2 MODE=14 DQ=-980 390 10.246 141 1.492
MODEL 3 MODE=14 DQ=-960 390 10.136 132 1.430
MODEL 4 MODE=14 DQ=-940 390 10.026 131 1.400
MODEL 5 MODE=14 DQ=-920 390 9.918 131 1.384
MODEL 6 MODE=14 DQ=-900 390 9.812 131 1.371
MODEL 7 MODE=14 DQ=-880 390 9.707 132 1.391
MODEL 8 MODE=14 DQ=-860 390 9.603 131 1.368
MODEL 9 MODE=14 DQ=-840 390 9.502 131 1.363
MODEL 10 MODE=14 DQ=-820 390 9.402 130 1.294
MODEL 11 MODE=14 DQ=-800 390 9.304 130 1.274
MODEL 12 MODE=14 DQ=-780 390 9.207 127 1.277
MODEL 13 MODE=14 DQ=-760 390 9.113 129 1.286
MODEL 14 MODE=14 DQ=-740 390 9.020 132 1.287
MODEL 15 MODE=14 DQ=-720 390 8.930 129 1.269
MODEL 16 MODE=14 DQ=-700 390 8.841 132 1.281
MODEL 17 MODE=14 DQ=-680 390 8.755 132 1.276
MODEL 18 MODE=14 DQ=-660 390 8.671 133 1.291
MODEL 19 MODE=14 DQ=-640 390 8.589 132 1.265
MODEL 20 MODE=14 DQ=-620 390 8.509 132 1.261
MODEL 21 MODE=14 DQ=-600 390 8.432 132 1.260
MODEL 22 MODE=14 DQ=-580 390 8.357 132 1.284
MODEL 23 MODE=14 DQ=-560 390 8.285 132 1.274
MODEL 24 MODE=14 DQ=-540 390 8.215 131 1.305
MODEL 25 MODE=14 DQ=-520 390 8.148 133 1.394
MODEL 26 MODE=14 DQ=-500 390 8.084 134 1.430
MODEL 27 MODE=14 DQ=-480 390 8.022 118 1.620
MODEL 28 MODE=14 DQ=-460 390 7.963 136 1.432
MODEL 29 MODE=14 DQ=-440 390 7.907 137 1.452
MODEL 30 MODE=14 DQ=-420 390 7.854 139 1.434
MODEL 31 MODE=14 DQ=-400 390 7.805 122 1.603
MODEL 32 MODE=14 DQ=-380 390 7.758 124 1.603
MODEL 33 MODE=14 DQ=-360 390 7.714 143 1.590
MODEL 34 MODE=14 DQ=-340 390 7.674 144 1.697
MODEL 35 MODE=14 DQ=-320 390 7.636 145 1.814
MODEL 36 MODE=14 DQ=-300 390 7.602 154 1.949
MODEL 37 MODE=14 DQ=-280 390 7.572 165 2.016
MODEL 38 MODE=14 DQ=-260 390 7.544 164 2.005
MODEL 39 MODE=14 DQ=-240 390 7.520 164 2.007
MODEL 40 MODE=14 DQ=-220 390 7.500 162 2.004
MODEL 41 MODE=14 DQ=-200 390 7.483 157 1.977
MODEL 42 MODE=14 DQ=-180 390 7.469 157 1.953
MODEL 43 MODE=14 DQ=-160 390 7.459 155 1.945
MODEL 44 MODE=14 DQ=-140 390 7.453 150 1.898
MODEL 45 MODE=14 DQ=-120 390 7.450 149 1.896
MODEL 46 MODE=14 DQ=-100 390 7.451 148 1.904
MODEL 47 MODE=14 DQ=-80 390 7.455 146 1.916
MODEL 48 MODE=14 DQ=-60 390 7.462 144 1.927
MODEL 49 MODE=14 DQ=-40 390 7.473 85 2.097
MODEL 50 MODE=14 DQ=-20 390 7.488 86 2.132
MODEL 51 MODE=14 DQ=0 390 7.506 82 2.116
getting mode 15
running: ../../bin/get_modes.sh 2407051405192268459 15 -1000 1000 20 on on
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-1000
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-980
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-960
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-940
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-920
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-900
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-880
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-860
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-840
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-820
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-800
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-780
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-760
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-740
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-720
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-700
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-680
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-660
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-640
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-620
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-600
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-580
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-560
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-540
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-520
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-500
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-480
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-460
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-440
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-420
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-400
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-380
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-360
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-340
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-320
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-300
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-280
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-260
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-240
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-220
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-200
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-180
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-160
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-140
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-120
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-100
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-80
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-60
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-40
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-20
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=0
2407051405192268459.eigenfacs
2407051405192268459.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2407051405192268459.15.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2407051405192268459.15.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2407051405192268459.15.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
compute RMSD to second conformer
MODEL 1 MODE=15 DQ=-1000 390 12.725 95 1.984
MODEL 2 MODE=15 DQ=-980 390 12.583 91 1.959
MODEL 3 MODE=15 DQ=-960 390 12.441 92 1.961
MODEL 4 MODE=15 DQ=-940 390 12.300 93 1.938
MODEL 5 MODE=15 DQ=-920 390 12.161 120 1.725
MODEL 6 MODE=15 DQ=-900 390 12.022 121 1.696
MODEL 7 MODE=15 DQ=-880 390 11.884 82 1.286
MODEL 8 MODE=15 DQ=-860 390 11.747 82 1.280
MODEL 9 MODE=15 DQ=-840 390 11.611 96 1.823
MODEL 10 MODE=15 DQ=-820 390 11.476 97 1.839
MODEL 11 MODE=15 DQ=-800 390 11.342 121 1.598
MODEL 12 MODE=15 DQ=-780 390 11.210 122 1.563
MODEL 13 MODE=15 DQ=-760 390 11.078 121 1.496
MODEL 14 MODE=15 DQ=-740 390 10.948 120 1.467
MODEL 15 MODE=15 DQ=-720 390 10.819 121 1.445
MODEL 16 MODE=15 DQ=-700 390 10.692 121 1.413
MODEL 17 MODE=15 DQ=-680 390 10.565 121 1.437
MODEL 18 MODE=15 DQ=-660 390 10.440 121 1.453
MODEL 19 MODE=15 DQ=-640 390 10.317 122 1.391
MODEL 20 MODE=15 DQ=-620 390 10.195 122 1.363
MODEL 21 MODE=15 DQ=-600 390 10.075 122 1.337
MODEL 22 MODE=15 DQ=-580 390 9.956 87 1.469
MODEL 23 MODE=15 DQ=-560 390 9.838 89 1.541
MODEL 24 MODE=15 DQ=-540 390 9.723 123 1.546
MODEL 25 MODE=15 DQ=-520 390 9.609 122 1.356
MODEL 26 MODE=15 DQ=-500 390 9.497 124 1.329
MODEL 27 MODE=15 DQ=-480 390 9.387 122 1.215
MODEL 28 MODE=15 DQ=-460 390 9.279 122 1.457
MODEL 29 MODE=15 DQ=-440 390 9.173 126 1.427
MODEL 30 MODE=15 DQ=-420 390 9.070 123 1.283
MODEL 31 MODE=15 DQ=-400 390 8.968 123 1.267
MODEL 32 MODE=15 DQ=-380 390 8.868 126 1.323
MODEL 33 MODE=15 DQ=-360 390 8.771 125 1.273
MODEL 34 MODE=15 DQ=-340 390 8.676 121 1.082
MODEL 35 MODE=15 DQ=-320 390 8.584 121 1.076
MODEL 36 MODE=15 DQ=-300 390 8.494 122 1.097
MODEL 37 MODE=15 DQ=-280 390 8.407 120 1.287
MODEL 38 MODE=15 DQ=-260 390 8.322 104 1.873
MODEL 39 MODE=15 DQ=-240 390 8.241 129 1.418
MODEL 40 MODE=15 DQ=-220 390 8.162 128 1.459
MODEL 41 MODE=15 DQ=-200 390 8.086 126 1.441
MODEL 42 MODE=15 DQ=-180 390 8.013 75 2.148
MODEL 43 MODE=15 DQ=-160 390 7.943 76 2.141
MODEL 44 MODE=15 DQ=-140 390 7.877 77 2.143
MODEL 45 MODE=15 DQ=-120 390 7.813 82 2.147
MODEL 46 MODE=15 DQ=-100 390 7.753 81 2.153
MODEL 47 MODE=15 DQ=-80 390 7.697 83 2.132
MODEL 48 MODE=15 DQ=-60 390 7.644 85 2.156
MODEL 49 MODE=15 DQ=-40 390 7.594 85 2.117
MODEL 50 MODE=15 DQ=-20 390 7.548 103 2.180
MODEL 51 MODE=15 DQ=0 390 7.506 82 2.116
getting mode 16
running: ../../bin/get_modes.sh 2407051405192268459 16 -1000 1000 20 on on
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-1000
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-980
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-960
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-940
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-920
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-900
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-880
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-860
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-840
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-820
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-800
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-780
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-760
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-740
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-720
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-700
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-680
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-660
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-640
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-620
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-600
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-580
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-560
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-540
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-520
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-500
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-480
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-460
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-440
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-420
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-400
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-380
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-360
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-340
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-320
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-300
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-280
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-260
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-240
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-220
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-200
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-180
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-160
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-140
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-120
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-100
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-80
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-60
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-40
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-20
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=0
2407051405192268459.eigenfacs
2407051405192268459.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2407051405192268459.16.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2407051405192268459.16.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2407051405192268459.16.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
compute RMSD to second conformer
MODEL 1 MODE=16 DQ=-1000 390 8.898 73 2.113
MODEL 2 MODE=16 DQ=-980 390 8.837 79 2.116
MODEL 3 MODE=16 DQ=-960 390 8.777 84 2.141
MODEL 4 MODE=16 DQ=-940 390 8.718 86 2.129
MODEL 5 MODE=16 DQ=-920 390 8.661 86 2.089
MODEL 6 MODE=16 DQ=-900 390 8.604 88 2.083
MODEL 7 MODE=16 DQ=-880 390 8.548 88 2.065
MODEL 8 MODE=16 DQ=-860 390 8.494 89 2.085
MODEL 9 MODE=16 DQ=-840 390 8.441 94 2.038
MODEL 10 MODE=16 DQ=-820 390 8.389 95 2.009
MODEL 11 MODE=16 DQ=-800 390 8.338 95 1.995
MODEL 12 MODE=16 DQ=-780 390 8.288 91 2.089
MODEL 13 MODE=16 DQ=-760 390 8.240 100 2.048
MODEL 14 MODE=16 DQ=-740 390 8.193 101 2.020
MODEL 15 MODE=16 DQ=-720 390 8.147 104 2.019
MODEL 16 MODE=16 DQ=-700 390 8.103 105 2.009
MODEL 17 MODE=16 DQ=-680 390 8.060 106 1.910
MODEL 18 MODE=16 DQ=-660 390 8.018 110 1.906
MODEL 19 MODE=16 DQ=-640 390 7.977 111 1.932
MODEL 20 MODE=16 DQ=-620 390 7.938 113 1.913
MODEL 21 MODE=16 DQ=-600 390 7.901 115 1.868
MODEL 22 MODE=16 DQ=-580 390 7.865 118 1.872
MODEL 23 MODE=16 DQ=-560 390 7.830 116 1.813
MODEL 24 MODE=16 DQ=-540 390 7.797 120 1.822
MODEL 25 MODE=16 DQ=-520 390 7.765 126 1.858
MODEL 26 MODE=16 DQ=-500 390 7.735 128 1.847
MODEL 27 MODE=16 DQ=-480 390 7.707 125 1.821
MODEL 28 MODE=16 DQ=-460 390 7.679 125 1.781
MODEL 29 MODE=16 DQ=-440 390 7.654 126 1.764
MODEL 30 MODE=16 DQ=-420 390 7.630 126 1.696
MODEL 31 MODE=16 DQ=-400 390 7.608 102 1.929
MODEL 32 MODE=16 DQ=-380 390 7.587 100 1.936
MODEL 33 MODE=16 DQ=-360 390 7.568 105 1.913
MODEL 34 MODE=16 DQ=-340 390 7.550 104 1.920
MODEL 35 MODE=16 DQ=-320 390 7.534 105 1.904
MODEL 36 MODE=16 DQ=-300 390 7.520 111 1.873
MODEL 37 MODE=16 DQ=-280 390 7.507 111 1.823
MODEL 38 MODE=16 DQ=-260 390 7.496 110 1.856
MODEL 39 MODE=16 DQ=-240 390 7.487 111 1.880
MODEL 40 MODE=16 DQ=-220 390 7.480 110 1.943
MODEL 41 MODE=16 DQ=-200 390 7.474 112 1.906
MODEL 42 MODE=16 DQ=-180 390 7.469 115 1.978
MODEL 43 MODE=16 DQ=-160 390 7.467 114 1.990
MODEL 44 MODE=16 DQ=-140 390 7.466 111 1.986
MODEL 45 MODE=16 DQ=-120 390 7.467 113 1.964
MODEL 46 MODE=16 DQ=-100 390 7.469 114 1.950
MODEL 47 MODE=16 DQ=-80 390 7.473 116 2.071
MODEL 48 MODE=16 DQ=-60 390 7.479 115 2.040
MODEL 49 MODE=16 DQ=-40 390 7.486 88 2.139
MODEL 50 MODE=16 DQ=-20 390 7.495 84 2.110
MODEL 51 MODE=16 DQ=0 390 7.506 82 2.116
getting mode 17
running: ../../bin/get_modes.sh 2407051405192268459 17 -1000 1000 20 on on
normal mode computation
generate a series of perturbations for mode 17
calculating perturbed structure for DQ=-1000
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-980
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-960
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-940
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-920
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-900
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-880
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-860
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-840
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-820
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-800
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-780
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-760
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-740
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-720
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-700
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-680
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-660
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-640
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-620
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-600
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-580
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-560
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-540
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-520
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-500
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-480
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-460
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-440
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-420
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-400
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-380
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-360
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-340
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-320
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-300
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-280
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-260
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-240
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-220
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-200
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-180
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-160
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-140
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-120
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-100
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-80
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-60
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-40
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-20
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=0
2407051405192268459.eigenfacs
2407051405192268459.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2407051405192268459.17.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2407051405192268459.17.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2407051405192268459.17.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
compute RMSD to second conformer
MODEL 1 MODE=17 DQ=-1000 390 8.222 61 2.064
MODEL 2 MODE=17 DQ=-980 390 8.160 74 1.993
MODEL 3 MODE=17 DQ=-960 390 8.099 77 1.992
MODEL 4 MODE=17 DQ=-940 390 8.040 79 1.993
MODEL 5 MODE=17 DQ=-920 390 7.982 81 1.974
MODEL 6 MODE=17 DQ=-900 390 7.925 82 1.969
MODEL 7 MODE=17 DQ=-880 390 7.871 84 1.956
MODEL 8 MODE=17 DQ=-860 390 7.818 86 1.930
MODEL 9 MODE=17 DQ=-840 390 7.767 87 1.895
MODEL 10 MODE=17 DQ=-820 390 7.718 89 1.920
MODEL 11 MODE=17 DQ=-800 390 7.670 91 1.893
MODEL 12 MODE=17 DQ=-780 390 7.624 94 1.891
MODEL 13 MODE=17 DQ=-760 390 7.580 97 1.897
MODEL 14 MODE=17 DQ=-740 390 7.538 99 1.892
MODEL 15 MODE=17 DQ=-720 390 7.498 68 2.177
MODEL 16 MODE=17 DQ=-700 390 7.460 69 2.160
MODEL 17 MODE=17 DQ=-680 390 7.424 68 2.126
MODEL 18 MODE=17 DQ=-660 390 7.390 69 2.121
MODEL 19 MODE=17 DQ=-640 390 7.358 106 1.840
MODEL 20 MODE=17 DQ=-620 390 7.328 107 1.859
MODEL 21 MODE=17 DQ=-600 390 7.300 109 1.834
MODEL 22 MODE=17 DQ=-580 390 7.275 109 1.813
MODEL 23 MODE=17 DQ=-560 390 7.251 111 1.836
MODEL 24 MODE=17 DQ=-540 390 7.230 113 1.842
MODEL 25 MODE=17 DQ=-520 390 7.211 114 1.810
MODEL 26 MODE=17 DQ=-500 390 7.194 116 1.825
MODEL 27 MODE=17 DQ=-480 390 7.179 118 1.837
MODEL 28 MODE=17 DQ=-460 390 7.167 119 1.888
MODEL 29 MODE=17 DQ=-440 390 7.156 120 1.872
MODEL 30 MODE=17 DQ=-420 390 7.149 128 1.882
MODEL 31 MODE=17 DQ=-400 390 7.143 127 1.868
MODEL 32 MODE=17 DQ=-380 390 7.140 131 1.894
MODEL 33 MODE=17 DQ=-360 390 7.139 132 1.904
MODEL 34 MODE=17 DQ=-340 390 7.140 130 1.875
MODEL 35 MODE=17 DQ=-320 390 7.144 130 1.875
MODEL 36 MODE=17 DQ=-300 390 7.149 133 1.892
MODEL 37 MODE=17 DQ=-280 390 7.158 135 1.915
MODEL 38 MODE=17 DQ=-260 390 7.168 134 1.926
MODEL 39 MODE=17 DQ=-240 390 7.181 139 1.976
MODEL 40 MODE=17 DQ=-220 390 7.196 142 1.974
MODEL 41 MODE=17 DQ=-200 390 7.213 139 1.944
MODEL 42 MODE=17 DQ=-180 390 7.233 139 1.946
MODEL 43 MODE=17 DQ=-160 390 7.254 134 1.920
MODEL 44 MODE=17 DQ=-140 390 7.278 138 1.953
MODEL 45 MODE=17 DQ=-120 390 7.305 140 1.955
MODEL 46 MODE=17 DQ=-100 390 7.333 140 1.977
MODEL 47 MODE=17 DQ=-80 390 7.363 141 1.986
MODEL 48 MODE=17 DQ=-60 390 7.396 81 2.106
MODEL 49 MODE=17 DQ=-40 390 7.431 86 2.131
MODEL 50 MODE=17 DQ=-20 390 7.467 85 2.103
MODEL 51 MODE=17 DQ=0 390 7.506 82 2.116
getting mode 18
running: ../../bin/get_modes.sh 2407051405192268459 18 -1000 1000 20 on on
normal mode computation
generate a series of perturbations for mode 18
calculating perturbed structure for DQ=-1000
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-980
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-960
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-940
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-920
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-900
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-880
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-860
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-840
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-820
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-800
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-780
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-760
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-740
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-720
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-700
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-680
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-660
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-640
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-620
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-600
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-580
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-560
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-540
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-520
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-500
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-480
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-460
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-440
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-420
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-400
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-380
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-360
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-340
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-320
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-300
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-280
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-260
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-240
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-220
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-200
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-180
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-160
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-140
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-120
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-100
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-80
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-60
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-40
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-20
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=0
2407051405192268459.eigenfacs
2407051405192268459.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2407051405192268459.18.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2407051405192268459.18.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2407051405192268459.18.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
compute RMSD to second conformer
MODEL 1 MODE=18 DQ=-1000 390 11.823 72 1.466
MODEL 2 MODE=18 DQ=-980 390 11.715 73 1.463
MODEL 3 MODE=18 DQ=-960 390 11.607 72 1.479
MODEL 4 MODE=18 DQ=-940 390 11.499 74 1.455
MODEL 5 MODE=18 DQ=-920 390 11.391 74 1.430
MODEL 6 MODE=18 DQ=-900 390 11.285 74 1.406
MODEL 7 MODE=18 DQ=-880 390 11.178 74 1.449
MODEL 8 MODE=18 DQ=-860 390 11.072 75 1.407
MODEL 9 MODE=18 DQ=-840 390 10.967 76 1.419
MODEL 10 MODE=18 DQ=-820 390 10.863 76 1.397
MODEL 11 MODE=18 DQ=-800 390 10.758 76 1.375
MODEL 12 MODE=18 DQ=-780 390 10.655 75 1.317
MODEL 13 MODE=18 DQ=-760 390 10.552 76 1.355
MODEL 14 MODE=18 DQ=-740 390 10.450 75 1.275
MODEL 15 MODE=18 DQ=-720 390 10.348 75 1.254
MODEL 16 MODE=18 DQ=-700 390 10.247 75 1.234
MODEL 17 MODE=18 DQ=-680 390 10.147 75 1.214
MODEL 18 MODE=18 DQ=-660 390 10.048 76 1.310
MODEL 19 MODE=18 DQ=-640 390 9.950 77 1.290
MODEL 20 MODE=18 DQ=-620 390 9.852 77 1.264
MODEL 21 MODE=18 DQ=-600 390 9.756 77 1.239
MODEL 22 MODE=18 DQ=-580 390 9.660 28 2.032
MODEL 23 MODE=18 DQ=-560 390 9.565 28 2.015
MODEL 24 MODE=18 DQ=-540 390 9.471 28 1.999
MODEL 25 MODE=18 DQ=-520 390 9.379 47 2.029
MODEL 26 MODE=18 DQ=-500 390 9.287 44 2.086
MODEL 27 MODE=18 DQ=-480 390 9.197 79 1.191
MODEL 28 MODE=18 DQ=-460 390 9.108 46 1.954
MODEL 29 MODE=18 DQ=-440 390 9.020 44 1.874
MODEL 30 MODE=18 DQ=-420 390 8.933 51 2.042
MODEL 31 MODE=18 DQ=-400 390 8.848 80 1.172
MODEL 32 MODE=18 DQ=-380 390 8.764 44 2.217
MODEL 33 MODE=18 DQ=-360 390 8.681 82 1.198
MODEL 34 MODE=18 DQ=-340 390 8.600 47 2.270
MODEL 35 MODE=18 DQ=-320 390 8.521 50 2.229
MODEL 36 MODE=18 DQ=-300 390 8.443 52 2.248
MODEL 37 MODE=18 DQ=-280 390 8.367 53 2.218
MODEL 38 MODE=18 DQ=-260 390 8.292 69 2.103
MODEL 39 MODE=18 DQ=-240 390 8.220 71 2.065
MODEL 40 MODE=18 DQ=-220 390 8.149 73 2.133
MODEL 41 MODE=18 DQ=-200 390 8.080 73 2.117
MODEL 42 MODE=18 DQ=-180 390 8.013 115 1.981
MODEL 43 MODE=18 DQ=-160 390 7.947 117 1.958
MODEL 44 MODE=18 DQ=-140 390 7.884 82 2.014
MODEL 45 MODE=18 DQ=-120 390 7.823 88 2.118
MODEL 46 MODE=18 DQ=-100 390 7.765 77 2.140
MODEL 47 MODE=18 DQ=-80 390 7.708 76 2.090
MODEL 48 MODE=18 DQ=-60 390 7.654 79 2.072
MODEL 49 MODE=18 DQ=-40 390 7.602 81 2.126
MODEL 50 MODE=18 DQ=-20 390 7.553 80 2.152
MODEL 51 MODE=18 DQ=0 390 7.506 82 2.116
getting mode 19
running: ../../bin/get_modes.sh 2407051405192268459 19 -1000 1000 20 on on
normal mode computation
generate a series of perturbations for mode 19
calculating perturbed structure for DQ=-1000
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-980
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-960
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-940
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-920
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-900
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-880
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-860
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-840
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-820
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-800
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-780
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-760
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-740
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-720
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-700
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-680
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-660
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-640
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-620
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-600
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-580
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-560
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-540
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-520
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-500
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-480
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-460
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-440
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-420
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-400
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-380
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-360
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-340
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-320
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-300
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-280
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-260
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-240
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-220
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-200
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-180
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-160
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-140
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-120
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-100
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-80
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-60
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-40
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-20
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=0
2407051405192268459.eigenfacs
2407051405192268459.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2407051405192268459.19.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2407051405192268459.19.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2407051405192268459.19.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
compute RMSD to second conformer
MODEL 1 MODE=19 DQ=-1000 390 11.119 56 1.635
MODEL 2 MODE=19 DQ=-980 390 10.994 44 1.910
MODEL 3 MODE=19 DQ=-960 390 10.870 63 1.672
MODEL 4 MODE=19 DQ=-940 390 10.747 64 1.656
MODEL 5 MODE=19 DQ=-920 390 10.625 31 1.911
MODEL 6 MODE=19 DQ=-900 390 10.504 32 1.932
MODEL 7 MODE=19 DQ=-880 390 10.385 34 1.986
MODEL 8 MODE=19 DQ=-860 390 10.268 33 1.926
MODEL 9 MODE=19 DQ=-840 390 10.152 34 1.957
MODEL 10 MODE=19 DQ=-820 390 10.037 35 1.973
MODEL 11 MODE=19 DQ=-800 390 9.925 36 1.971
MODEL 12 MODE=19 DQ=-780 390 9.813 38 2.003
MODEL 13 MODE=19 DQ=-760 390 9.704 36 1.907
MODEL 14 MODE=19 DQ=-740 390 9.596 36 1.884
MODEL 15 MODE=19 DQ=-720 390 9.490 37 1.905
MODEL 16 MODE=19 DQ=-700 390 9.386 40 1.977
MODEL 17 MODE=19 DQ=-680 390 9.284 41 1.966
MODEL 18 MODE=19 DQ=-660 390 9.185 41 1.941
MODEL 19 MODE=19 DQ=-640 390 9.087 43 1.954
MODEL 20 MODE=19 DQ=-620 390 8.991 44 1.963
MODEL 21 MODE=19 DQ=-600 390 8.898 47 2.009
MODEL 22 MODE=19 DQ=-580 390 8.807 47 2.031
MODEL 23 MODE=19 DQ=-560 390 8.718 47 2.022
MODEL 24 MODE=19 DQ=-540 390 8.632 48 2.037
MODEL 25 MODE=19 DQ=-520 390 8.548 48 2.029
MODEL 26 MODE=19 DQ=-500 390 8.467 44 1.912
MODEL 27 MODE=19 DQ=-480 390 8.389 45 1.936
MODEL 28 MODE=19 DQ=-460 390 8.314 46 1.919
MODEL 29 MODE=19 DQ=-440 390 8.241 107 1.580
MODEL 30 MODE=19 DQ=-420 390 8.171 107 1.662
MODEL 31 MODE=19 DQ=-400 390 8.105 108 1.607
MODEL 32 MODE=19 DQ=-380 390 8.041 110 1.626
MODEL 33 MODE=19 DQ=-360 390 7.981 109 1.593
MODEL 34 MODE=19 DQ=-340 390 7.924 109 1.598
MODEL 35 MODE=19 DQ=-320 390 7.870 111 1.656
MODEL 36 MODE=19 DQ=-300 390 7.819 105 1.535
MODEL 37 MODE=19 DQ=-280 390 7.772 106 1.576
MODEL 38 MODE=19 DQ=-260 390 7.729 110 1.695
MODEL 39 MODE=19 DQ=-240 390 7.689 105 1.596
MODEL 40 MODE=19 DQ=-220 390 7.653 106 1.643
MODEL 41 MODE=19 DQ=-200 390 7.620 105 1.652
MODEL 42 MODE=19 DQ=-180 390 7.592 105 1.772
MODEL 43 MODE=19 DQ=-160 390 7.567 105 1.717
MODEL 44 MODE=19 DQ=-140 390 7.545 79 2.190
MODEL 45 MODE=19 DQ=-120 390 7.528 81 2.206
MODEL 46 MODE=19 DQ=-100 390 7.515 84 2.199
MODEL 47 MODE=19 DQ=-80 390 7.505 82 2.129
MODEL 48 MODE=19 DQ=-60 390 7.499 87 2.144
MODEL 49 MODE=19 DQ=-40 390 7.498 87 2.146
MODEL 50 MODE=19 DQ=-20 390 7.500 86 2.121
MODEL 51 MODE=19 DQ=0 390 7.506 82 2.116
getting mode 20
running: ../../bin/get_modes.sh 2407051405192268459 20 -1000 1000 20 on on
normal mode computation
generate a series of perturbations for mode 20
calculating perturbed structure for DQ=-1000
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-980
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-960
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-940
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-920
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-900
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-880
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-860
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-840
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-820
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-800
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-780
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-760
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-740
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-720
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-700
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-680
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-660
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-640
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-620
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-600
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-580
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-560
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-540
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-520
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-500
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-480
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-460
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-440
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-420
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-400
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-380
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-360
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-340
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-320
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-300
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-280
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-260
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-240
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-220
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-200
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-180
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-160
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-140
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-120
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-100
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-80
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-60
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-40
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-20
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=0
2407051405192268459.eigenfacs
2407051405192268459.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2407051405192268459.20.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2407051405192268459.20.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2407051405192268459.20.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
compute RMSD to second conformer
MODEL 1 MODE=20 DQ=-1000 390 8.399 78 1.885
MODEL 2 MODE=20 DQ=-980 390 8.358 72 1.993
MODEL 3 MODE=20 DQ=-960 390 8.318 78 1.957
MODEL 4 MODE=20 DQ=-940 390 8.278 72 2.012
MODEL 5 MODE=20 DQ=-920 390 8.239 78 1.977
MODEL 6 MODE=20 DQ=-900 390 8.201 93 1.649
MODEL 7 MODE=20 DQ=-880 390 8.164 91 1.614
MODEL 8 MODE=20 DQ=-860 390 8.127 92 1.637
MODEL 9 MODE=20 DQ=-840 390 8.092 70 2.022
MODEL 10 MODE=20 DQ=-820 390 8.057 70 2.032
MODEL 11 MODE=20 DQ=-800 390 8.024 70 2.042
MODEL 12 MODE=20 DQ=-780 390 7.991 69 2.035
MODEL 13 MODE=20 DQ=-760 390 7.959 69 2.046
MODEL 14 MODE=20 DQ=-740 390 7.928 69 2.084
MODEL 15 MODE=20 DQ=-720 390 7.898 67 2.049
MODEL 16 MODE=20 DQ=-700 390 7.869 68 2.068
MODEL 17 MODE=20 DQ=-680 390 7.840 74 1.983
MODEL 18 MODE=20 DQ=-660 390 7.813 69 1.940
MODEL 19 MODE=20 DQ=-640 390 7.787 73 2.031
MODEL 20 MODE=20 DQ=-620 390 7.762 74 2.030
MODEL 21 MODE=20 DQ=-600 390 7.737 71 2.060
MODEL 22 MODE=20 DQ=-580 390 7.714 75 2.050
MODEL 23 MODE=20 DQ=-560 390 7.692 142 1.844
MODEL 24 MODE=20 DQ=-540 390 7.671 143 1.791
MODEL 25 MODE=20 DQ=-520 390 7.650 145 1.759
MODEL 26 MODE=20 DQ=-500 390 7.631 147 1.726
MODEL 27 MODE=20 DQ=-480 390 7.613 148 1.689
MODEL 28 MODE=20 DQ=-460 390 7.596 148 1.655
MODEL 29 MODE=20 DQ=-440 390 7.580 149 1.624
MODEL 30 MODE=20 DQ=-420 390 7.565 149 1.590
MODEL 31 MODE=20 DQ=-400 390 7.551 150 1.571
MODEL 32 MODE=20 DQ=-380 390 7.538 150 1.546
MODEL 33 MODE=20 DQ=-360 390 7.527 150 1.532
MODEL 34 MODE=20 DQ=-340 390 7.516 151 1.537
MODEL 35 MODE=20 DQ=-320 390 7.507 154 1.571
MODEL 36 MODE=20 DQ=-300 390 7.498 155 1.586
MODEL 37 MODE=20 DQ=-280 390 7.491 154 1.583
MODEL 38 MODE=20 DQ=-260 390 7.485 154 1.591
MODEL 39 MODE=20 DQ=-240 390 7.480 153 1.607
MODEL 40 MODE=20 DQ=-220 390 7.476 154 1.633
MODEL 41 MODE=20 DQ=-200 390 7.473 153 1.729
MODEL 42 MODE=20 DQ=-180 390 7.471 154 1.701
MODEL 43 MODE=20 DQ=-160 390 7.471 154 1.740
MODEL 44 MODE=20 DQ=-140 390 7.471 150 1.742
MODEL 45 MODE=20 DQ=-120 390 7.473 154 1.832
MODEL 46 MODE=20 DQ=-100 390 7.476 151 1.893
MODEL 47 MODE=20 DQ=-80 390 7.480 91 2.167
MODEL 48 MODE=20 DQ=-60 390 7.485 86 2.126
MODEL 49 MODE=20 DQ=-40 390 7.491 80 2.095
MODEL 50 MODE=20 DQ=-20 390 7.498 91 2.110
MODEL 51 MODE=20 DQ=0 390 7.506 82 2.116
getting mode 21
running: ../../bin/get_modes.sh 2407051405192268459 21 -1000 1000 20 on on
normal mode computation
generate a series of perturbations for mode 21
calculating perturbed structure for DQ=-1000
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-980
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-960
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-940
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-920
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-900
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-880
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-860
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-840
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-820
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-800
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-780
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-760
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-740
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-720
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-700
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-680
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-660
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-640
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-620
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-600
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-580
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-560
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-540
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-520
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-500
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-480
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-460
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-440
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-420
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-400
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-380
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-360
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-340
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-320
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-300
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-280
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-260
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-240
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-220
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-200
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-180
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-160
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-140
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-120
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-100
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-80
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-60
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-40
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-20
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=0
2407051405192268459.eigenfacs
2407051405192268459.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2407051405192268459.21.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2407051405192268459.21.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2407051405192268459.21.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
compute RMSD to second conformer
MODEL 1 MODE=21 DQ=-1000 390 13.159 31 2.153
MODEL 2 MODE=21 DQ=-980 390 12.987 33 2.105
MODEL 3 MODE=21 DQ=-960 390 12.816 33 2.065
MODEL 4 MODE=21 DQ=-940 390 12.646 33 2.067
MODEL 5 MODE=21 DQ=-920 390 12.477 34 2.076
MODEL 6 MODE=21 DQ=-900 390 12.310 34 2.012
MODEL 7 MODE=21 DQ=-880 390 12.144 37 2.106
MODEL 8 MODE=21 DQ=-860 390 11.979 51 2.098
MODEL 9 MODE=21 DQ=-840 390 11.816 99 1.737
MODEL 10 MODE=21 DQ=-820 390 11.655 99 1.720
MODEL 11 MODE=21 DQ=-800 390 11.495 54 2.068
MODEL 12 MODE=21 DQ=-780 390 11.336 54 2.143
MODEL 13 MODE=21 DQ=-760 390 11.179 59 2.085
MODEL 14 MODE=21 DQ=-740 390 11.024 59 2.041
MODEL 15 MODE=21 DQ=-720 390 10.871 55 2.005
MODEL 16 MODE=21 DQ=-700 390 10.720 62 1.966
MODEL 17 MODE=21 DQ=-680 390 10.571 76 2.018
MODEL 18 MODE=21 DQ=-660 390 10.424 61 1.977
MODEL 19 MODE=21 DQ=-640 390 10.279 62 1.951
MODEL 20 MODE=21 DQ=-620 390 10.136 63 1.964
MODEL 21 MODE=21 DQ=-600 390 9.996 69 1.952
MODEL 22 MODE=21 DQ=-580 390 9.858 64 1.987
MODEL 23 MODE=21 DQ=-560 390 9.723 64 1.963
MODEL 24 MODE=21 DQ=-540 390 9.591 102 2.018
MODEL 25 MODE=21 DQ=-520 390 9.461 106 2.013
MODEL 26 MODE=21 DQ=-500 390 9.335 109 1.999
MODEL 27 MODE=21 DQ=-480 390 9.211 108 1.933
MODEL 28 MODE=21 DQ=-460 390 9.091 113 1.927
MODEL 29 MODE=21 DQ=-440 390 8.973 114 1.902
MODEL 30 MODE=21 DQ=-420 390 8.860 117 1.891
MODEL 31 MODE=21 DQ=-400 390 8.750 73 2.035
MODEL 32 MODE=21 DQ=-380 390 8.643 73 1.993
MODEL 33 MODE=21 DQ=-360 390 8.541 122 1.838
MODEL 34 MODE=21 DQ=-340 390 8.442 124 1.831
MODEL 35 MODE=21 DQ=-320 390 8.348 125 1.818
MODEL 36 MODE=21 DQ=-300 390 8.257 126 1.806
MODEL 37 MODE=21 DQ=-280 390 8.172 130 1.828
MODEL 38 MODE=21 DQ=-260 390 8.091 128 1.795
MODEL 39 MODE=21 DQ=-240 390 8.014 134 1.844
MODEL 40 MODE=21 DQ=-220 390 7.942 135 1.847
MODEL 41 MODE=21 DQ=-200 390 7.876 136 1.850
MODEL 42 MODE=21 DQ=-180 390 7.814 138 1.859
MODEL 43 MODE=21 DQ=-160 390 7.758 141 1.881
MODEL 44 MODE=21 DQ=-140 390 7.707 142 1.896
MODEL 45 MODE=21 DQ=-120 390 7.661 142 1.878
MODEL 46 MODE=21 DQ=-100 390 7.621 143 1.902
MODEL 47 MODE=21 DQ=-80 390 7.586 141 1.900
MODEL 48 MODE=21 DQ=-60 390 7.558 140 1.907
MODEL 49 MODE=21 DQ=-40 390 7.535 90 2.166
MODEL 50 MODE=21 DQ=-20 390 7.518 88 2.110
MODEL 51 MODE=21 DQ=0 390 7.506 82 2.116
getting mode 22
running: ../../bin/get_modes.sh 2407051405192268459 22 -1000 1000 20 on on
normal mode computation
generate a series of perturbations for mode 22
calculating perturbed structure for DQ=-1000
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-980
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-960
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-940
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-920
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-900
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-880
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-860
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-840
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-820
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-800
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-780
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-760
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-740
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-720
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-700
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-680
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-660
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-640
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-620
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-600
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-580
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-560
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-540
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-520
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-500
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-480
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-460
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-440
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-420
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-400
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-380
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-360
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-340
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-320
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-300
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-280
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-260
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-240
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-220
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-200
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-180
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-160
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-140
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-120
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-100
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-80
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-60
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-40
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-20
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=0
2407051405192268459.eigenfacs
2407051405192268459.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2407051405192268459.22.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2407051405192268459.22.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2407051405192268459.22.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
compute RMSD to second conformer
MODEL 1 MODE=22 DQ=-1000 390 12.175 120 1.859
MODEL 2 MODE=22 DQ=-980 390 12.039 118 1.756
MODEL 3 MODE=22 DQ=-960 390 11.904 120 1.862
MODEL 4 MODE=22 DQ=-940 390 11.770 118 1.760
MODEL 5 MODE=22 DQ=-920 390 11.636 118 1.764
MODEL 6 MODE=22 DQ=-900 390 11.504 118 1.767
MODEL 7 MODE=22 DQ=-880 390 11.373 120 1.805
MODEL 8 MODE=22 DQ=-860 390 11.243 120 1.852
MODEL 9 MODE=22 DQ=-840 390 11.115 119 1.799
MODEL 10 MODE=22 DQ=-820 390 10.987 120 1.816
MODEL 11 MODE=22 DQ=-800 390 10.861 122 1.856
MODEL 12 MODE=22 DQ=-780 390 10.736 119 1.865
MODEL 13 MODE=22 DQ=-760 390 10.612 122 1.863
MODEL 14 MODE=22 DQ=-740 390 10.490 123 1.881
MODEL 15 MODE=22 DQ=-720 390 10.369 121 1.849
MODEL 16 MODE=22 DQ=-700 390 10.249 124 1.898
MODEL 17 MODE=22 DQ=-680 390 10.131 123 1.892
MODEL 18 MODE=22 DQ=-660 390 10.015 126 1.923
MODEL 19 MODE=22 DQ=-640 390 9.900 125 1.912
MODEL 20 MODE=22 DQ=-620 390 9.787 123 1.903
MODEL 21 MODE=22 DQ=-600 390 9.676 126 1.910
MODEL 22 MODE=22 DQ=-580 390 9.567 125 1.902
MODEL 23 MODE=22 DQ=-560 390 9.459 119 1.869
MODEL 24 MODE=22 DQ=-540 390 9.353 119 1.863
MODEL 25 MODE=22 DQ=-520 390 9.250 65 2.038
MODEL 26 MODE=22 DQ=-500 390 9.148 120 1.872
MODEL 27 MODE=22 DQ=-480 390 9.049 119 1.862
MODEL 28 MODE=22 DQ=-460 390 8.952 67 2.051
MODEL 29 MODE=22 DQ=-440 390 8.857 122 1.910
MODEL 30 MODE=22 DQ=-420 390 8.764 123 1.899
MODEL 31 MODE=22 DQ=-400 390 8.674 121 1.893
MODEL 32 MODE=22 DQ=-380 390 8.587 125 1.909
MODEL 33 MODE=22 DQ=-360 390 8.502 125 1.904
MODEL 34 MODE=22 DQ=-340 390 8.420 70 2.085
MODEL 35 MODE=22 DQ=-320 390 8.340 72 2.066
MODEL 36 MODE=22 DQ=-300 390 8.263 74 2.139
MODEL 37 MODE=22 DQ=-280 390 8.190 128 1.938
MODEL 38 MODE=22 DQ=-260 390 8.119 72 2.092
MODEL 39 MODE=22 DQ=-240 390 8.051 71 2.062
MODEL 40 MODE=22 DQ=-220 390 7.987 72 2.072
MODEL 41 MODE=22 DQ=-200 390 7.926 72 2.053
MODEL 42 MODE=22 DQ=-180 390 7.868 73 2.050
MODEL 43 MODE=22 DQ=-160 390 7.813 74 2.053
MODEL 44 MODE=22 DQ=-140 390 7.762 137 1.971
MODEL 45 MODE=22 DQ=-120 390 7.714 132 1.946
MODEL 46 MODE=22 DQ=-100 390 7.670 87 2.106
MODEL 47 MODE=22 DQ=-80 390 7.630 135 1.947
MODEL 48 MODE=22 DQ=-60 390 7.593 83 2.139
MODEL 49 MODE=22 DQ=-40 390 7.560 80 2.116
MODEL 50 MODE=22 DQ=-20 390 7.531 84 2.126
MODEL 51 MODE=22 DQ=0 390 7.506 82 2.116
getting mode 23
running: ../../bin/get_modes.sh 2407051405192268459 23 -1000 1000 20 on on
normal mode computation
generate a series of perturbations for mode 23
calculating perturbed structure for DQ=-1000
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-980
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-960
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-940
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-920
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-900
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-880
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-860
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-840
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-820
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-800
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-780
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-760
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-740
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-720
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-700
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-680
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-660
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-640
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-620
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-600
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-580
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-560
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-540
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-520
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-500
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-480
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-460
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-440
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-420
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-400
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-380
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-360
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-340
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-320
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-300
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-280
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-260
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-240
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-220
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-200
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-180
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-160
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-140
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-120
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-100
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-80
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-60
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-40
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-20
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=0
2407051405192268459.eigenfacs
2407051405192268459.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2407051405192268459.23.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2407051405192268459.23.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2407051405192268459.23.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
compute RMSD to second conformer
MODEL 1 MODE=23 DQ=-1000 390 12.618 101 0.555
MODEL 2 MODE=23 DQ=-980 390 12.479 101 0.546
MODEL 3 MODE=23 DQ=-960 390 12.340 101 0.537
MODEL 4 MODE=23 DQ=-940 390 12.203 101 0.528
MODEL 5 MODE=23 DQ=-920 390 12.066 101 0.519
MODEL 6 MODE=23 DQ=-900 390 11.930 101 0.510
MODEL 7 MODE=23 DQ=-880 390 11.795 101 0.501
MODEL 8 MODE=23 DQ=-860 390 11.661 101 0.491
MODEL 9 MODE=23 DQ=-840 390 11.528 105 1.275
MODEL 10 MODE=23 DQ=-820 390 11.396 105 1.272
MODEL 11 MODE=23 DQ=-800 390 11.265 105 1.269
MODEL 12 MODE=23 DQ=-780 390 11.136 105 1.496
MODEL 13 MODE=23 DQ=-760 390 11.007 105 1.643
MODEL 14 MODE=23 DQ=-740 390 10.879 105 1.262
MODEL 15 MODE=23 DQ=-720 390 10.753 105 1.261
MODEL 16 MODE=23 DQ=-700 390 10.628 105 1.260
MODEL 17 MODE=23 DQ=-680 390 10.504 105 1.260
MODEL 18 MODE=23 DQ=-660 390 10.382 105 1.371
MODEL 19 MODE=23 DQ=-640 390 10.261 107 1.531
MODEL 20 MODE=23 DQ=-620 390 10.141 109 1.615
MODEL 21 MODE=23 DQ=-600 390 10.023 107 1.479
MODEL 22 MODE=23 DQ=-580 390 9.907 111 1.744
MODEL 23 MODE=23 DQ=-560 390 9.792 111 1.741
MODEL 24 MODE=23 DQ=-540 390 9.679 114 1.769
MODEL 25 MODE=23 DQ=-520 390 9.567 113 1.822
MODEL 26 MODE=23 DQ=-500 390 9.457 115 1.801
MODEL 27 MODE=23 DQ=-480 390 9.350 115 1.766
MODEL 28 MODE=23 DQ=-460 390 9.244 115 1.838
MODEL 29 MODE=23 DQ=-440 390 9.140 115 1.791
MODEL 30 MODE=23 DQ=-420 390 9.038 114 1.867
MODEL 31 MODE=23 DQ=-400 390 8.938 115 1.778
MODEL 32 MODE=23 DQ=-380 390 8.840 115 1.854
MODEL 33 MODE=23 DQ=-360 390 8.745 117 1.772
MODEL 34 MODE=23 DQ=-340 390 8.652 115 1.676
MODEL 35 MODE=23 DQ=-320 390 8.562 117 1.736
MODEL 36 MODE=23 DQ=-300 390 8.474 113 1.919
MODEL 37 MODE=23 DQ=-280 390 8.388 115 1.915
MODEL 38 MODE=23 DQ=-260 390 8.305 57 2.169
MODEL 39 MODE=23 DQ=-240 390 8.225 121 1.923
MODEL 40 MODE=23 DQ=-220 390 8.148 124 1.956
MODEL 41 MODE=23 DQ=-200 390 8.073 127 1.977
MODEL 42 MODE=23 DQ=-180 390 8.002 125 1.953
MODEL 43 MODE=23 DQ=-160 390 7.934 126 1.961
MODEL 44 MODE=23 DQ=-140 390 7.868 129 1.968
MODEL 45 MODE=23 DQ=-120 390 7.806 130 1.959
MODEL 46 MODE=23 DQ=-100 390 7.748 134 1.979
MODEL 47 MODE=23 DQ=-80 390 7.692 133 1.967
MODEL 48 MODE=23 DQ=-60 390 7.641 134 1.964
MODEL 49 MODE=23 DQ=-40 390 7.592 136 1.965
MODEL 50 MODE=23 DQ=-20 390 7.547 80 2.112
MODEL 51 MODE=23 DQ=0 390 7.506 82 2.116
getting mode 24
running: ../../bin/get_modes.sh 2407051405192268459 24 -1000 1000 20 on on
normal mode computation
generate a series of perturbations for mode 24
calculating perturbed structure for DQ=-1000
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-980
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-960
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-940
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-920
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-900
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-880
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-860
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-840
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-820
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-800
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-780
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-760
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-740
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-720
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-700
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-680
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-660
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-640
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-620
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-600
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-580
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-560
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-540
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-520
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-500
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-480
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-460
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-440
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-420
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-400
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-380
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-360
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-340
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-320
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-300
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-280
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-260
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-240
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-220
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-200
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-180
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-160
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-140
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-120
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-100
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-80
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-60
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-40
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-20
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=0
2407051405192268459.eigenfacs
2407051405192268459.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2407051405192268459.24.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2407051405192268459.24.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2407051405192268459.24.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
compute RMSD to second conformer
MODEL 1 MODE=24 DQ=-1000 390 10.510 41 2.113
MODEL 2 MODE=24 DQ=-980 390 10.399 41 2.089
MODEL 3 MODE=24 DQ=-960 390 10.289 40 2.060
MODEL 4 MODE=24 DQ=-940 390 10.180 40 2.051
MODEL 5 MODE=24 DQ=-920 390 10.073 40 2.062
MODEL 6 MODE=24 DQ=-900 390 9.967 40 2.061
MODEL 7 MODE=24 DQ=-880 390 9.862 39 2.034
MODEL 8 MODE=24 DQ=-860 390 9.759 40 2.064
MODEL 9 MODE=24 DQ=-840 390 9.657 40 2.067
MODEL 10 MODE=24 DQ=-820 390 9.557 40 2.013
MODEL 11 MODE=24 DQ=-800 390 9.458 39 2.057
MODEL 12 MODE=24 DQ=-780 390 9.362 49 2.076
MODEL 13 MODE=24 DQ=-760 390 9.267 49 2.042
MODEL 14 MODE=24 DQ=-740 390 9.173 49 2.005
MODEL 15 MODE=24 DQ=-720 390 9.082 52 2.035
MODEL 16 MODE=24 DQ=-700 390 8.992 52 2.012
MODEL 17 MODE=24 DQ=-680 390 8.905 55 2.028
MODEL 18 MODE=24 DQ=-660 390 8.819 54 2.008
MODEL 19 MODE=24 DQ=-640 390 8.735 55 1.995
MODEL 20 MODE=24 DQ=-620 390 8.654 57 2.041
MODEL 21 MODE=24 DQ=-600 390 8.575 57 2.005
MODEL 22 MODE=24 DQ=-580 390 8.498 60 2.036
MODEL 23 MODE=24 DQ=-560 390 8.423 69 1.996
MODEL 24 MODE=24 DQ=-540 390 8.351 63 2.013
MODEL 25 MODE=24 DQ=-520 390 8.281 92 1.715
MODEL 26 MODE=24 DQ=-500 390 8.214 93 1.696
MODEL 27 MODE=24 DQ=-480 390 8.149 93 1.665
MODEL 28 MODE=24 DQ=-460 390 8.087 94 1.685
MODEL 29 MODE=24 DQ=-440 390 8.028 53 1.988
MODEL 30 MODE=24 DQ=-420 390 7.971 96 1.693
MODEL 31 MODE=24 DQ=-400 390 7.917 57 2.036
MODEL 32 MODE=24 DQ=-380 390 7.866 62 2.104
MODEL 33 MODE=24 DQ=-360 390 7.818 133 1.936
MODEL 34 MODE=24 DQ=-340 390 7.773 138 1.915
MODEL 35 MODE=24 DQ=-320 390 7.731 144 1.921
MODEL 36 MODE=24 DQ=-300 390 7.693 145 1.866
MODEL 37 MODE=24 DQ=-280 390 7.657 87 2.027
MODEL 38 MODE=24 DQ=-260 390 7.624 151 1.848
MODEL 39 MODE=24 DQ=-240 390 7.595 151 1.822
MODEL 40 MODE=24 DQ=-220 390 7.569 79 2.089
MODEL 41 MODE=24 DQ=-200 390 7.547 154 1.814
MODEL 42 MODE=24 DQ=-180 390 7.527 152 1.803
MODEL 43 MODE=24 DQ=-160 390 7.511 150 1.775
MODEL 44 MODE=24 DQ=-140 390 7.499 87 2.055
MODEL 45 MODE=24 DQ=-120 390 7.489 90 2.092
MODEL 46 MODE=24 DQ=-100 390 7.484 89 2.097
MODEL 47 MODE=24 DQ=-80 390 7.481 90 2.087
MODEL 48 MODE=24 DQ=-60 390 7.482 90 2.090
MODEL 49 MODE=24 DQ=-40 390 7.487 89 2.099
MODEL 50 MODE=24 DQ=-20 390 7.495 85 2.098
MODEL 51 MODE=24 DQ=0 390 7.506 82 2.116
getting mode 25
running: ../../bin/get_modes.sh 2407051405192268459 25 -1000 1000 20 on on
normal mode computation
generate a series of perturbations for mode 25
calculating perturbed structure for DQ=-1000
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-980
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-960
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-940
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-920
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-900
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-880
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-860
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-840
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-820
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-800
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-780
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-760
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-740
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-720
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-700
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-680
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-660
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-640
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-620
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-600
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-580
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-560
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-540
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-520
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-500
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-480
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-460
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-440
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-420
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-400
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-380
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-360
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-340
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-320
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-300
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-280
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-260
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-240
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-220
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-200
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-180
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-160
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-140
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-120
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-100
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-80
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-60
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-40
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-20
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=0
2407051405192268459.eigenfacs
2407051405192268459.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2407051405192268459.25.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2407051405192268459.25.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2407051405192268459.25.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
compute RMSD to second conformer
MODEL 1 MODE=25 DQ=-1000 390 12.147 78 1.255
MODEL 2 MODE=25 DQ=-980 390 12.013 79 1.222
MODEL 3 MODE=25 DQ=-960 390 11.880 80 1.296
MODEL 4 MODE=25 DQ=-940 390 11.748 81 1.302
MODEL 5 MODE=25 DQ=-920 390 11.616 80 1.257
MODEL 6 MODE=25 DQ=-900 390 11.486 80 1.239
MODEL 7 MODE=25 DQ=-880 390 11.357 80 1.222
MODEL 8 MODE=25 DQ=-860 390 11.229 80 1.206
MODEL 9 MODE=25 DQ=-840 390 11.102 82 1.270
MODEL 10 MODE=25 DQ=-820 390 10.976 82 1.252
MODEL 11 MODE=25 DQ=-800 390 10.852 82 1.209
MODEL 12 MODE=25 DQ=-780 390 10.728 82 1.193
MODEL 13 MODE=25 DQ=-760 390 10.606 82 1.204
MODEL 14 MODE=25 DQ=-740 390 10.486 83 1.226
MODEL 15 MODE=25 DQ=-720 390 10.366 81 1.130
MODEL 16 MODE=25 DQ=-700 390 10.249 81 1.119
MODEL 17 MODE=25 DQ=-680 390 10.132 81 1.110
MODEL 18 MODE=25 DQ=-660 390 10.017 83 1.226
MODEL 19 MODE=25 DQ=-640 390 9.904 83 1.219
MODEL 20 MODE=25 DQ=-620 390 9.792 82 1.145
MODEL 21 MODE=25 DQ=-600 390 9.682 86 1.360
MODEL 22 MODE=25 DQ=-580 390 9.574 85 1.305
MODEL 23 MODE=25 DQ=-560 390 9.468 84 1.238
MODEL 24 MODE=25 DQ=-540 390 9.363 85 1.297
MODEL 25 MODE=25 DQ=-520 390 9.261 85 1.251
MODEL 26 MODE=25 DQ=-500 390 9.160 88 1.406
MODEL 27 MODE=25 DQ=-480 390 9.062 89 1.463
MODEL 28 MODE=25 DQ=-460 390 8.966 89 1.532
MODEL 29 MODE=25 DQ=-440 390 8.871 102 1.682
MODEL 30 MODE=25 DQ=-420 390 8.780 105 1.716
MODEL 31 MODE=25 DQ=-400 390 8.690 109 1.847
MODEL 32 MODE=25 DQ=-380 390 8.603 110 1.840
MODEL 33 MODE=25 DQ=-360 390 8.518 112 1.855
MODEL 34 MODE=25 DQ=-340 390 8.436 108 1.797
MODEL 35 MODE=25 DQ=-320 390 8.357 105 1.753
MODEL 36 MODE=25 DQ=-300 390 8.280 106 1.765
MODEL 37 MODE=25 DQ=-280 390 8.206 106 1.808
MODEL 38 MODE=25 DQ=-260 390 8.135 108 1.846
MODEL 39 MODE=25 DQ=-240 390 8.067 112 1.921
MODEL 40 MODE=25 DQ=-220 390 8.002 107 2.032
MODEL 41 MODE=25 DQ=-200 390 7.940 114 1.957
MODEL 42 MODE=25 DQ=-180 390 7.882 108 2.004
MODEL 43 MODE=25 DQ=-160 390 7.826 78 2.102
MODEL 44 MODE=25 DQ=-140 390 7.774 111 1.929
MODEL 45 MODE=25 DQ=-120 390 7.725 93 2.135
MODEL 46 MODE=25 DQ=-100 390 7.680 85 2.128
MODEL 47 MODE=25 DQ=-80 390 7.638 87 2.113
MODEL 48 MODE=25 DQ=-60 390 7.599 85 2.130
MODEL 49 MODE=25 DQ=-40 390 7.565 84 2.121
MODEL 50 MODE=25 DQ=-20 390 7.534 85 2.151
MODEL 51 MODE=25 DQ=0 390 7.506 82 2.116
getting mode 26
running: ../../bin/get_modes.sh 2407051405192268459 26 -1000 1000 20 on on
normal mode computation
generate a series of perturbations for mode 26
calculating perturbed structure for DQ=-1000
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-980
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-960
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-940
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-920
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-900
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-880
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-860
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-840
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-820
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-800
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-780
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-760
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-740
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-720
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-700
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-680
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-660
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-640
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-620
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-600
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-580
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-560
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-540
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-520
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-500
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-480
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-460
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-440
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-420
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-400
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-380
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-360
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-340
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-320
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-300
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-280
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-260
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-240
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-220
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-200
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-180
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-160
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-140
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-120
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-100
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-80
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-60
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-40
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-20
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=0
2407051405192268459.eigenfacs
2407051405192268459.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2407051405192268459.26.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2407051405192268459.26.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2407051405192268459.26.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
compute RMSD to second conformer
MODEL 1 MODE=26 DQ=-1000 390 11.497 113 1.191
MODEL 2 MODE=26 DQ=-980 390 11.387 115 1.238
MODEL 3 MODE=26 DQ=-960 390 11.278 115 1.241
MODEL 4 MODE=26 DQ=-940 390 11.169 116 1.258
MODEL 5 MODE=26 DQ=-920 390 11.061 116 1.262
MODEL 6 MODE=26 DQ=-900 390 10.954 116 1.266
MODEL 7 MODE=26 DQ=-880 390 10.848 117 1.300
MODEL 8 MODE=26 DQ=-860 390 10.742 117 1.305
MODEL 9 MODE=26 DQ=-840 390 10.638 118 1.342
MODEL 10 MODE=26 DQ=-820 390 10.534 117 1.404
MODEL 11 MODE=26 DQ=-800 390 10.431 117 1.411
MODEL 12 MODE=26 DQ=-780 390 10.329 116 1.416
MODEL 13 MODE=26 DQ=-760 390 10.228 116 1.403
MODEL 14 MODE=26 DQ=-740 390 10.128 118 1.477
MODEL 15 MODE=26 DQ=-720 390 10.029 118 1.484
MODEL 16 MODE=26 DQ=-700 390 9.931 117 1.478
MODEL 17 MODE=26 DQ=-680 390 9.835 117 1.486
MODEL 18 MODE=26 DQ=-660 390 9.739 118 1.416
MODEL 19 MODE=26 DQ=-640 390 9.645 120 1.574
MODEL 20 MODE=26 DQ=-620 390 9.551 122 1.612
MODEL 21 MODE=26 DQ=-600 390 9.459 123 1.644
MODEL 22 MODE=26 DQ=-580 390 9.369 124 1.661
MODEL 23 MODE=26 DQ=-560 390 9.279 124 1.671
MODEL 24 MODE=26 DQ=-540 390 9.191 125 1.648
MODEL 25 MODE=26 DQ=-520 390 9.105 126 1.708
MODEL 26 MODE=26 DQ=-500 390 9.020 126 1.701
MODEL 27 MODE=26 DQ=-480 390 8.936 127 1.723
MODEL 28 MODE=26 DQ=-460 390 8.854 129 1.742
MODEL 29 MODE=26 DQ=-440 390 8.773 130 1.765
MODEL 30 MODE=26 DQ=-420 390 8.695 131 1.772
MODEL 31 MODE=26 DQ=-400 390 8.617 132 1.794
MODEL 32 MODE=26 DQ=-380 390 8.542 133 1.811
MODEL 33 MODE=26 DQ=-360 390 8.468 133 1.818
MODEL 34 MODE=26 DQ=-340 390 8.397 133 1.845
MODEL 35 MODE=26 DQ=-320 390 8.327 133 1.852
MODEL 36 MODE=26 DQ=-300 390 8.259 136 1.890
MODEL 37 MODE=26 DQ=-280 390 8.193 140 1.925
MODEL 38 MODE=26 DQ=-260 390 8.129 140 1.926
MODEL 39 MODE=26 DQ=-240 390 8.067 139 1.921
MODEL 40 MODE=26 DQ=-220 390 8.007 139 1.925
MODEL 41 MODE=26 DQ=-200 390 7.950 139 1.936
MODEL 42 MODE=26 DQ=-180 390 7.895 142 1.971
MODEL 43 MODE=26 DQ=-160 390 7.842 139 1.946
MODEL 44 MODE=26 DQ=-140 390 7.791 138 1.930
MODEL 45 MODE=26 DQ=-120 390 7.743 139 1.954
MODEL 46 MODE=26 DQ=-100 390 7.697 139 1.955
MODEL 47 MODE=26 DQ=-80 390 7.654 140 1.971
MODEL 48 MODE=26 DQ=-60 390 7.613 140 1.973
MODEL 49 MODE=26 DQ=-40 390 7.575 138 1.962
MODEL 50 MODE=26 DQ=-20 390 7.539 79 2.126
MODEL 51 MODE=26 DQ=0 390 7.506 82 2.116
getting mode 27
running: ../../bin/get_modes.sh 2407051405192268459 27 -1000 1000 20 on on
normal mode computation
generate a series of perturbations for mode 27
calculating perturbed structure for DQ=-1000
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-980
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-960
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-940
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-920
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-900
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-880
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-860
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-840
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-820
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-800
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-780
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-760
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-740
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-720
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-700
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-680
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-660
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-640
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-620
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-600
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-580
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-560
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-540
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-520
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-500
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-480
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-460
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-440
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-420
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-400
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-380
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-360
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-340
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-320
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-300
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-280
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-260
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-240
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-220
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-200
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-180
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-160
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-140
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-120
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-100
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-80
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-60
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-40
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-20
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=0
2407051405192268459.eigenfacs
2407051405192268459.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2407051405192268459.27.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2407051405192268459.27.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2407051405192268459.27.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
compute RMSD to second conformer
MODEL 1 MODE=27 DQ=-1000 390 11.649 81 1.659
MODEL 2 MODE=27 DQ=-980 390 11.486 86 1.727
MODEL 3 MODE=27 DQ=-960 390 11.325 88 1.731
MODEL 4 MODE=27 DQ=-940 390 11.165 90 1.742
MODEL 5 MODE=27 DQ=-920 390 11.007 89 1.694
MODEL 6 MODE=27 DQ=-900 390 10.850 89 1.667
MODEL 7 MODE=27 DQ=-880 390 10.696 90 1.663
MODEL 8 MODE=27 DQ=-860 390 10.543 98 1.722
MODEL 9 MODE=27 DQ=-840 390 10.393 101 1.724
MODEL 10 MODE=27 DQ=-820 390 10.244 101 1.695
MODEL 11 MODE=27 DQ=-800 390 10.098 104 1.722
MODEL 12 MODE=27 DQ=-780 390 9.955 105 1.715
MODEL 13 MODE=27 DQ=-760 390 9.813 108 1.733
MODEL 14 MODE=27 DQ=-740 390 9.675 107 1.691
MODEL 15 MODE=27 DQ=-720 390 9.539 114 1.768
MODEL 16 MODE=27 DQ=-700 390 9.405 116 1.771
MODEL 17 MODE=27 DQ=-680 390 9.275 120 1.792
MODEL 18 MODE=27 DQ=-660 390 9.148 119 1.760
MODEL 19 MODE=27 DQ=-640 390 9.024 121 1.769
MODEL 20 MODE=27 DQ=-620 390 8.903 121 1.756
MODEL 21 MODE=27 DQ=-600 390 8.785 123 1.792
MODEL 22 MODE=27 DQ=-580 390 8.671 123 1.757
MODEL 23 MODE=27 DQ=-560 390 8.561 124 1.758
MODEL 24 MODE=27 DQ=-540 390 8.455 126 1.794
MODEL 25 MODE=27 DQ=-520 390 8.352 128 1.829
MODEL 26 MODE=27 DQ=-500 390 8.254 129 1.853
MODEL 27 MODE=27 DQ=-480 390 8.160 128 1.850
MODEL 28 MODE=27 DQ=-460 390 8.070 130 1.856
MODEL 29 MODE=27 DQ=-440 390 7.986 133 1.824
MODEL 30 MODE=27 DQ=-420 390 7.905 135 1.850
MODEL 31 MODE=27 DQ=-400 390 7.830 137 1.908
MODEL 32 MODE=27 DQ=-380 390 7.760 97 2.105
MODEL 33 MODE=27 DQ=-360 390 7.695 141 1.984
MODEL 34 MODE=27 DQ=-340 390 7.635 146 1.957
MODEL 35 MODE=27 DQ=-320 390 7.580 119 2.083
MODEL 36 MODE=27 DQ=-300 390 7.531 115 2.091
MODEL 37 MODE=27 DQ=-280 390 7.488 117 2.075
MODEL 38 MODE=27 DQ=-260 390 7.451 117 2.109
MODEL 39 MODE=27 DQ=-240 390 7.419 120 2.119
MODEL 40 MODE=27 DQ=-220 390 7.393 121 2.131
MODEL 41 MODE=27 DQ=-200 390 7.373 112 2.118
MODEL 42 MODE=27 DQ=-180 390 7.359 123 2.191
MODEL 43 MODE=27 DQ=-160 390 7.352 119 2.179
MODEL 44 MODE=27 DQ=-140 390 7.350 104 2.112
MODEL 45 MODE=27 DQ=-120 390 7.354 106 2.155
MODEL 46 MODE=27 DQ=-100 390 7.365 100 2.112
MODEL 47 MODE=27 DQ=-80 390 7.381 87 2.107
MODEL 48 MODE=27 DQ=-60 390 7.404 89 2.080
MODEL 49 MODE=27 DQ=-40 390 7.432 87 2.084
MODEL 50 MODE=27 DQ=-20 390 7.466 86 2.119
MODEL 51 MODE=27 DQ=0 390 7.506 82 2.116
getting mode 28
running: ../../bin/get_modes.sh 2407051405192268459 28 -1000 1000 20 on on
normal mode computation
generate a series of perturbations for mode 28
calculating perturbed structure for DQ=-1000
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-980
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-960
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-940
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-920
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-900
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-880
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-860
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-840
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-820
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-800
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-780
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-760
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-740
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-720
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-700
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-680
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-660
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-640
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-620
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-600
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-580
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-560
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-540
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-520
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-500
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-480
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-460
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-440
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-420
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-400
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-380
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-360
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-340
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-320
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-300
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-280
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-260
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-240
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-220
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-200
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-180
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-160
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-140
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-120
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-100
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-80
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-60
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-40
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-20
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=0
2407051405192268459.eigenfacs
2407051405192268459.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2407051405192268459.28.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2407051405192268459.28.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2407051405192268459.28.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
compute RMSD to second conformer
MODEL 1 MODE=28 DQ=-1000 390 7.911 122 2.098
MODEL 2 MODE=28 DQ=-980 390 7.875 123 2.091
MODEL 3 MODE=28 DQ=-960 390 7.840 128 2.115
MODEL 4 MODE=28 DQ=-940 390 7.807 126 2.093
MODEL 5 MODE=28 DQ=-920 390 7.774 128 2.093
MODEL 6 MODE=28 DQ=-900 390 7.742 125 2.101
MODEL 7 MODE=28 DQ=-880 390 7.711 126 2.068
MODEL 8 MODE=28 DQ=-860 390 7.682 128 2.050
MODEL 9 MODE=28 DQ=-840 390 7.653 130 2.074
MODEL 10 MODE=28 DQ=-820 390 7.626 130 2.068
MODEL 11 MODE=28 DQ=-800 390 7.599 130 2.055
MODEL 12 MODE=28 DQ=-780 390 7.574 130 2.052
MODEL 13 MODE=28 DQ=-760 390 7.550 129 2.064
MODEL 14 MODE=28 DQ=-740 390 7.527 131 2.083
MODEL 15 MODE=28 DQ=-720 390 7.505 131 2.087
MODEL 16 MODE=28 DQ=-700 390 7.484 131 2.090
MODEL 17 MODE=28 DQ=-680 390 7.464 132 2.124
MODEL 18 MODE=28 DQ=-660 390 7.446 133 2.114
MODEL 19 MODE=28 DQ=-640 390 7.428 145 2.077
MODEL 20 MODE=28 DQ=-620 390 7.412 139 2.119
MODEL 21 MODE=28 DQ=-600 390 7.397 167 1.566
MODEL 22 MODE=28 DQ=-580 390 7.383 167 1.479
MODEL 23 MODE=28 DQ=-560 390 7.370 146 2.081
MODEL 24 MODE=28 DQ=-540 390 7.359 145 2.138
MODEL 25 MODE=28 DQ=-520 390 7.349 143 2.131
MODEL 26 MODE=28 DQ=-500 390 7.339 165 1.472
MODEL 27 MODE=28 DQ=-480 390 7.332 142 2.139
MODEL 28 MODE=28 DQ=-460 390 7.325 165 1.421
MODEL 29 MODE=28 DQ=-440 390 7.319 144 2.075
MODEL 30 MODE=28 DQ=-420 390 7.315 142 2.131
MODEL 31 MODE=28 DQ=-400 390 7.312 120 2.123
MODEL 32 MODE=28 DQ=-380 390 7.310 118 2.126
MODEL 33 MODE=28 DQ=-360 390 7.310 115 2.118
MODEL 34 MODE=28 DQ=-340 390 7.311 105 2.060
MODEL 35 MODE=28 DQ=-320 390 7.312 106 2.081
MODEL 36 MODE=28 DQ=-300 390 7.316 105 2.063
MODEL 37 MODE=28 DQ=-280 390 7.320 105 2.089
MODEL 38 MODE=28 DQ=-260 390 7.325 106 2.101
MODEL 39 MODE=28 DQ=-240 390 7.332 107 2.124
MODEL 40 MODE=28 DQ=-220 390 7.340 106 2.131
MODEL 41 MODE=28 DQ=-200 390 7.349 104 2.125
MODEL 42 MODE=28 DQ=-180 390 7.360 103 2.144
MODEL 43 MODE=28 DQ=-160 390 7.371 98 2.109
MODEL 44 MODE=28 DQ=-140 390 7.384 98 2.124
MODEL 45 MODE=28 DQ=-120 390 7.398 96 2.119
MODEL 46 MODE=28 DQ=-100 390 7.413 92 2.094
MODEL 47 MODE=28 DQ=-80 390 7.429 91 2.093
MODEL 48 MODE=28 DQ=-60 390 7.447 88 2.089
MODEL 49 MODE=28 DQ=-40 390 7.465 86 2.116
MODEL 50 MODE=28 DQ=-20 390 7.485 85 2.114
MODEL 51 MODE=28 DQ=0 390 7.506 82 2.116
getting mode 29
running: ../../bin/get_modes.sh 2407051405192268459 29 -1000 1000 20 on on
normal mode computation
generate a series of perturbations for mode 29
calculating perturbed structure for DQ=-1000
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-980
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-960
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-940
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-920
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-900
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-880
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-860
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-840
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-820
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-800
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-780
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-760
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-740
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-720
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-700
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-680
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-660
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-640
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-620
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-600
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-580
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-560
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-540
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-520
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-500
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-480
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-460
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-440
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-420
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-400
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-380
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-360
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-340
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-320
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-300
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-280
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-260
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-240
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-220
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-200
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-180
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-160
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-140
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-120
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-100
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-80
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-60
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-40
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-20
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=0
2407051405192268459.eigenfacs
2407051405192268459.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2407051405192268459.29.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2407051405192268459.29.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2407051405192268459.29.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
compute RMSD to second conformer
MODEL 1 MODE=29 DQ=-1000 390 10.292 86 1.939
MODEL 2 MODE=29 DQ=-980 390 10.176 105 1.890
MODEL 3 MODE=29 DQ=-960 390 10.061 89 1.807
MODEL 4 MODE=29 DQ=-940 390 9.948 90 1.813
MODEL 5 MODE=29 DQ=-920 390 9.837 92 1.848
MODEL 6 MODE=29 DQ=-900 390 9.727 91 1.891
MODEL 7 MODE=29 DQ=-880 390 9.619 92 1.832
MODEL 8 MODE=29 DQ=-860 390 9.513 91 1.805
MODEL 9 MODE=29 DQ=-840 390 9.408 88 1.831
MODEL 10 MODE=29 DQ=-820 390 9.306 88 1.841
MODEL 11 MODE=29 DQ=-800 390 9.205 90 1.842
MODEL 12 MODE=29 DQ=-780 390 9.106 89 1.809
MODEL 13 MODE=29 DQ=-760 390 9.010 91 1.817
MODEL 14 MODE=29 DQ=-740 390 8.915 93 1.839
MODEL 15 MODE=29 DQ=-720 390 8.822 93 1.793
MODEL 16 MODE=29 DQ=-700 390 8.732 95 1.878
MODEL 17 MODE=29 DQ=-680 390 8.644 94 1.791
MODEL 18 MODE=29 DQ=-660 390 8.559 96 1.813
MODEL 19 MODE=29 DQ=-640 390 8.476 102 1.789
MODEL 20 MODE=29 DQ=-620 390 8.395 104 1.810
MODEL 21 MODE=29 DQ=-600 390 8.317 104 1.801
MODEL 22 MODE=29 DQ=-580 390 8.242 109 1.869
MODEL 23 MODE=29 DQ=-560 390 8.170 110 1.868
MODEL 24 MODE=29 DQ=-540 390 8.100 114 1.905
MODEL 25 MODE=29 DQ=-520 390 8.034 105 1.853
MODEL 26 MODE=29 DQ=-500 390 7.970 114 1.888
MODEL 27 MODE=29 DQ=-480 390 7.909 114 1.887
MODEL 28 MODE=29 DQ=-460 390 7.852 113 1.907
MODEL 29 MODE=29 DQ=-440 390 7.797 112 1.893
MODEL 30 MODE=29 DQ=-420 390 7.746 112 1.896
MODEL 31 MODE=29 DQ=-400 390 7.698 114 1.941
MODEL 32 MODE=29 DQ=-380 390 7.654 115 1.919
MODEL 33 MODE=29 DQ=-360 390 7.613 115 1.927
MODEL 34 MODE=29 DQ=-340 390 7.576 110 1.883
MODEL 35 MODE=29 DQ=-320 390 7.542 111 1.895
MODEL 36 MODE=29 DQ=-300 390 7.511 112 1.919
MODEL 37 MODE=29 DQ=-280 390 7.485 111 1.959
MODEL 38 MODE=29 DQ=-260 390 7.462 109 1.811
MODEL 39 MODE=29 DQ=-240 390 7.442 108 1.793
MODEL 40 MODE=29 DQ=-220 390 7.427 115 1.960
MODEL 41 MODE=29 DQ=-200 390 7.415 113 1.956
MODEL 42 MODE=29 DQ=-180 390 7.407 115 1.992
MODEL 43 MODE=29 DQ=-160 390 7.403 113 2.072
MODEL 44 MODE=29 DQ=-140 390 7.403 112 1.963
MODEL 45 MODE=29 DQ=-120 390 7.406 112 2.101
MODEL 46 MODE=29 DQ=-100 390 7.413 112 2.008
MODEL 47 MODE=29 DQ=-80 390 7.424 80 2.124
MODEL 48 MODE=29 DQ=-60 390 7.439 87 2.168
MODEL 49 MODE=29 DQ=-40 390 7.458 87 2.165
MODEL 50 MODE=29 DQ=-20 390 7.480 80 2.138
MODEL 51 MODE=29 DQ=0 390 7.506 82 2.116
getting mode 30
running: ../../bin/get_modes.sh 2407051405192268459 30 -1000 1000 20 on on
normal mode computation
generate a series of perturbations for mode 30
calculating perturbed structure for DQ=-1000
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-980
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-960
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-940
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-920
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-900
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-880
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-860
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-840
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-820
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-800
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-780
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-760
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-740
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-720
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-700
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-680
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-660
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-640
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-620
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-600
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-580
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-560
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-540
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-520
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-500
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-480
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-460
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-440
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-420
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-400
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-380
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-360
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-340
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-320
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-300
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-280
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-260
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-240
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-220
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-200
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-180
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-160
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-140
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-120
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-100
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-80
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-60
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-40
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-20
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=0
2407051405192268459.eigenfacs
2407051405192268459.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2407051405192268459.30.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2407051405192268459.30.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2407051405192268459.30.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
compute RMSD to second conformer
MODEL 1 MODE=30 DQ=-1000 390 10.086 64 2.122
MODEL 2 MODE=30 DQ=-980 390 9.978 67 2.087
MODEL 3 MODE=30 DQ=-960 390 9.871 65 2.097
MODEL 4 MODE=30 DQ=-940 390 9.765 71 2.037
MODEL 5 MODE=30 DQ=-920 390 9.661 69 2.052
MODEL 6 MODE=30 DQ=-900 390 9.559 70 2.041
MODEL 7 MODE=30 DQ=-880 390 9.458 71 2.074
MODEL 8 MODE=30 DQ=-860 390 9.359 72 2.067
MODEL 9 MODE=30 DQ=-840 390 9.261 72 2.050
MODEL 10 MODE=30 DQ=-820 390 9.166 74 2.058
MODEL 11 MODE=30 DQ=-800 390 9.072 51 1.997
MODEL 12 MODE=30 DQ=-780 390 8.980 85 2.046
MODEL 13 MODE=30 DQ=-760 390 8.890 85 2.044
MODEL 14 MODE=30 DQ=-740 390 8.802 81 2.063
MODEL 15 MODE=30 DQ=-720 390 8.716 89 2.045
MODEL 16 MODE=30 DQ=-700 390 8.632 90 2.045
MODEL 17 MODE=30 DQ=-680 390 8.550 90 2.080
MODEL 18 MODE=30 DQ=-660 390 8.471 97 2.089
MODEL 19 MODE=30 DQ=-640 390 8.394 98 2.085
MODEL 20 MODE=30 DQ=-620 390 8.320 101 2.092
MODEL 21 MODE=30 DQ=-600 390 8.248 97 2.041
MODEL 22 MODE=30 DQ=-580 390 8.178 100 2.064
MODEL 23 MODE=30 DQ=-560 390 8.111 99 2.048
MODEL 24 MODE=30 DQ=-540 390 8.047 104 2.077
MODEL 25 MODE=30 DQ=-520 390 7.985 103 2.064
MODEL 26 MODE=30 DQ=-500 390 7.926 107 2.074
MODEL 27 MODE=30 DQ=-480 390 7.870 109 2.079
MODEL 28 MODE=30 DQ=-460 390 7.817 111 2.085
MODEL 29 MODE=30 DQ=-440 390 7.767 115 2.092
MODEL 30 MODE=30 DQ=-420 390 7.720 120 2.119
MODEL 31 MODE=30 DQ=-400 390 7.677 123 2.120
MODEL 32 MODE=30 DQ=-380 390 7.636 124 2.101
MODEL 33 MODE=30 DQ=-360 390 7.598 127 2.104
MODEL 34 MODE=30 DQ=-340 390 7.564 128 2.090
MODEL 35 MODE=30 DQ=-320 390 7.533 129 2.082
MODEL 36 MODE=30 DQ=-300 390 7.505 132 2.083
MODEL 37 MODE=30 DQ=-280 390 7.481 136 2.086
MODEL 38 MODE=30 DQ=-260 390 7.460 138 2.072
MODEL 39 MODE=30 DQ=-240 390 7.443 138 2.066
MODEL 40 MODE=30 DQ=-220 390 7.429 144 2.053
MODEL 41 MODE=30 DQ=-200 390 7.418 148 2.049
MODEL 42 MODE=30 DQ=-180 390 7.411 146 1.999
MODEL 43 MODE=30 DQ=-160 390 7.408 146 1.982
MODEL 44 MODE=30 DQ=-140 390 7.408 146 1.963
MODEL 45 MODE=30 DQ=-120 390 7.412 146 1.970
MODEL 46 MODE=30 DQ=-100 390 7.419 147 1.954
MODEL 47 MODE=30 DQ=-80 390 7.429 77 2.160
MODEL 48 MODE=30 DQ=-60 390 7.443 81 2.142
MODEL 49 MODE=30 DQ=-40 390 7.461 83 2.157
MODEL 50 MODE=30 DQ=-20 390 7.482 83 2.116
MODEL 51 MODE=30 DQ=0 390 7.506 82 2.116
getting mode 31
running: ../../bin/get_modes.sh 2407051405192268459 31 -1000 1000 20 on on
normal mode computation
generate a series of perturbations for mode 31
calculating perturbed structure for DQ=-1000
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-980
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-960
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-940
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-920
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-900
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-880
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-860
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-840
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-820
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-800
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-780
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-760
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-740
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-720
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-700
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-680
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-660
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-640
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-620
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-600
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-580
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-560
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-540
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-520
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-500
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-480
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-460
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-440
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-420
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-400
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-380
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-360
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-340
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-320
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-300
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-280
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-260
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-240
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-220
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-200
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-180
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-160
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-140
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-120
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-100
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-80
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-60
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-40
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=-20
2407051405192268459.eigenfacs
2407051405192268459.atom
calculating perturbed structure for DQ=0
2407051405192268459.eigenfacs
2407051405192268459.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2407051405192268459.31.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2407051405192268459.31.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2407051405192268459.31.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
compute RMSD to second conformer
MODEL 1 MODE=31 DQ=-1000 390 9.528 32 2.016
MODEL 2 MODE=31 DQ=-980 390 9.435 56 2.098
MODEL 3 MODE=31 DQ=-960 390 9.343 32 2.016
MODEL 4 MODE=31 DQ=-940 390 9.253 75 1.691
MODEL 5 MODE=31 DQ=-920 390 9.164 75 1.662
MODEL 6 MODE=31 DQ=-900 390 9.077 75 1.633
MODEL 7 MODE=31 DQ=-880 390 8.991 76 1.636
MODEL 8 MODE=31 DQ=-860 390 8.907 75 1.579
MODEL 9 MODE=31 DQ=-840 390 8.825 76 1.582
MODEL 10 MODE=31 DQ=-820 390 8.744 76 1.585
MODEL 11 MODE=31 DQ=-800 390 8.665 77 1.692
MODEL 12 MODE=31 DQ=-780 390 8.588 79 1.606
MODEL 13 MODE=31 DQ=-760 390 8.513 81 1.650
MODEL 14 MODE=31 DQ=-740 390 8.440 103 2.010
MODEL 15 MODE=31 DQ=-720 390 8.368 103 1.991
MODEL 16 MODE=31 DQ=-700 390 8.299 103 1.973
MODEL 17 MODE=31 DQ=-680 390 8.232 103 1.966
MODEL 18 MODE=31 DQ=-660 390 8.167 104 1.959
MODEL 19 MODE=31 DQ=-640 390 8.104 105 1.972
MODEL 20 MODE=31 DQ=-620 390 8.044 107 1.978
MODEL 21 MODE=31 DQ=-600 390 7.985 108 1.963
MODEL 22 MODE=31 DQ=-580 390 7.929 110 1.996
MODEL 23 MODE=31 DQ=-560 390 7.876 113 1.992
MODEL 24 MODE=31 DQ=-540 390 7.825 113 1.967
MODEL 25 MODE=31 DQ=-520 390 7.776 114 1.953
MODEL 26 MODE=31 DQ=-500 390 7.730 119 1.984
MODEL 27 MODE=31 DQ=-480 390 7.687 119 1.984
MODEL 28 MODE=31 DQ=-460 390 7.646 119 1.963
MODEL 29 MODE=31 DQ=-440 390 7.608 118 1.956
MODEL 30 MODE=31 DQ=-420 390 7.573 120 1.966
MODEL 31 MODE=31 DQ=-400 390 7.540 123 2.035
MODEL 32 MODE=31 DQ=-380 390 7.510 127 2.018
MODEL 33 MODE=31 DQ=-360 390 7.483 132 2.017
MODEL 34 MODE=31 DQ=-340 390 7.459 136 2.024
MODEL 35 MODE=31 DQ=-320 390 7.438 137 2.019
MODEL 36 MODE=31 DQ=-300 390 7.420 144 2.042
MODEL 37 MODE=31 DQ=-280 390 7.405 145 2.023
MODEL 38 MODE=31 DQ=-260 390 7.393 147 1.982
MODEL 39 MODE=31 DQ=-240 390 7.383 150 1.968
MODEL 40 MODE=31 DQ=-220 390 7.377 151 1.943
MODEL 41 MODE=31 DQ=-200 390 7.374 149 1.904
MODEL 42 MODE=31 DQ=-180 390 7.374 146 1.855
MODEL 43 MODE=31 DQ=-160 390 7.376 145 1.848
MODEL 44 MODE=31 DQ=-140 390 7.382 144 1.842
MODEL 45 MODE=31 DQ=-120 390 7.391 147 1.884
MODEL 46 MODE=31 DQ=-100 390 7.403 148 1.924
MODEL 47 MODE=31 DQ=-80 390 7.418 147 1.941
MODEL 48 MODE=31 DQ=-60 390 7.435 145 1.923
MODEL 49 MODE=31 DQ=-40 390 7.456 144 1.953
MODEL 50 MODE=31 DQ=-20 390 7.480 81 2.133
MODEL 51 MODE=31 DQ=0 390 7.506 82 2.116
2407051405192268459.10.pdb
2407051405192268459.11.pdb
2407051405192268459.12.pdb
2407051405192268459.13.pdb
2407051405192268459.14.pdb
2407051405192268459.15.pdb
2407051405192268459.16.pdb
2407051405192268459.17.pdb
2407051405192268459.18.pdb
2407051405192268459.19.pdb
2407051405192268459.20.pdb
2407051405192268459.21.pdb
2407051405192268459.22.pdb
2407051405192268459.23.pdb
2407051405192268459.24.pdb
2407051405192268459.25.pdb
2407051405192268459.26.pdb
2407051405192268459.27.pdb
2407051405192268459.28.pdb
2407051405192268459.29.pdb
2407051405192268459.30.pdb
2407051405192268459.31.pdb
2407051405192268459.7.pdb
2407051405192268459.8.pdb
2407051405192268459.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 1m13.311s
user 1m13.080s
sys 0m0.176s
rm: cannot remove '2407051405192268459.sdijf': No such file or directory
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If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 25th, 2023.
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