*** ***
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 = 2407140045133527185.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 2407140045133527185.atom to be opened.
Openam> File opened: 2407140045133527185.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 = 686
First residue number = 1
Last residue number = 686
Number of atoms found = 10693
Mean number per residue = 15.6
Pdbmat> Coordinate statistics:
= 108.213832 +/- 10.156140 From: 80.780000 To: 137.136000
= 108.207703 +/- 17.400806 From: 60.859000 To: 152.792000
= 108.219093 +/- 33.112656 From: 32.906000 To: 172.466000
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 1.5448 % Filled.
Pdbmat> 7948481 non-zero elements.
Pdbmat> 876162 atom-atom interactions.
Pdbmat> Number per atom= 163.88 +/- 49.05
Maximum number = 256
Minimum number = 16
Pdbmat> Matrix trace = 1.752324E+07
Pdbmat> Larger element = 896.012
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
686 non-zero elements, NRBL set to 4
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 = 2407140045133527185.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 4
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 2407140045133527185.atom to be opened.
Openam> file on opening on unit 11:
2407140045133527185.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 10693 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 4 residue(s) per block.
Blocpdb> 686 residues.
Blocpdb> 56 atoms in block 1
Block first atom: 1
Blocpdb> 72 atoms in block 2
Block first atom: 57
Blocpdb> 66 atoms in block 3
Block first atom: 129
Blocpdb> 61 atoms in block 4
Block first atom: 195
Blocpdb> 57 atoms in block 5
Block first atom: 256
Blocpdb> 58 atoms in block 6
Block first atom: 313
Blocpdb> 59 atoms in block 7
Block first atom: 371
Blocpdb> 72 atoms in block 8
Block first atom: 430
Blocpdb> 74 atoms in block 9
Block first atom: 502
Blocpdb> 85 atoms in block 10
Block first atom: 576
Blocpdb> 73 atoms in block 11
Block first atom: 661
Blocpdb> 66 atoms in block 12
Block first atom: 734
Blocpdb> 53 atoms in block 13
Block first atom: 800
Blocpdb> 50 atoms in block 14
Block first atom: 853
Blocpdb> 60 atoms in block 15
Block first atom: 903
Blocpdb> 47 atoms in block 16
Block first atom: 963
Blocpdb> 51 atoms in block 17
Block first atom: 1010
Blocpdb> 47 atoms in block 18
Block first atom: 1061
Blocpdb> 70 atoms in block 19
Block first atom: 1108
Blocpdb> 61 atoms in block 20
Block first atom: 1178
Blocpdb> 57 atoms in block 21
Block first atom: 1239
Blocpdb> 57 atoms in block 22
Block first atom: 1296
Blocpdb> 48 atoms in block 23
Block first atom: 1353
Blocpdb> 65 atoms in block 24
Block first atom: 1401
Blocpdb> 61 atoms in block 25
Block first atom: 1466
Blocpdb> 66 atoms in block 26
Block first atom: 1527
Blocpdb> 49 atoms in block 27
Block first atom: 1593
Blocpdb> 57 atoms in block 28
Block first atom: 1642
Blocpdb> 71 atoms in block 29
Block first atom: 1699
Blocpdb> 64 atoms in block 30
Block first atom: 1770
Blocpdb> 42 atoms in block 31
Block first atom: 1834
Blocpdb> 56 atoms in block 32
Block first atom: 1876
Blocpdb> 66 atoms in block 33
Block first atom: 1932
Blocpdb> 63 atoms in block 34
Block first atom: 1998
Blocpdb> 73 atoms in block 35
Block first atom: 2061
Blocpdb> 59 atoms in block 36
Block first atom: 2134
Blocpdb> 50 atoms in block 37
Block first atom: 2193
Blocpdb> 63 atoms in block 38
Block first atom: 2243
Blocpdb> 69 atoms in block 39
Block first atom: 2306
Blocpdb> 76 atoms in block 40
Block first atom: 2375
Blocpdb> 67 atoms in block 41
Block first atom: 2451
Blocpdb> 67 atoms in block 42
Block first atom: 2518
Blocpdb> 51 atoms in block 43
Block first atom: 2585
Blocpdb> 83 atoms in block 44
Block first atom: 2636
Blocpdb> 65 atoms in block 45
Block first atom: 2719
Blocpdb> 58 atoms in block 46
Block first atom: 2784
Blocpdb> 54 atoms in block 47
Block first atom: 2842
Blocpdb> 64 atoms in block 48
Block first atom: 2896
Blocpdb> 66 atoms in block 49
Block first atom: 2960
Blocpdb> 62 atoms in block 50
Block first atom: 3026
Blocpdb> 75 atoms in block 51
Block first atom: 3088
Blocpdb> 71 atoms in block 52
Block first atom: 3163
Blocpdb> 58 atoms in block 53
Block first atom: 3234
Blocpdb> 70 atoms in block 54
Block first atom: 3292
Blocpdb> 70 atoms in block 55
Block first atom: 3362
Blocpdb> 63 atoms in block 56
Block first atom: 3432
Blocpdb> 54 atoms in block 57
Block first atom: 3495
Blocpdb> 51 atoms in block 58
Block first atom: 3549
Blocpdb> 52 atoms in block 59
Block first atom: 3600
Blocpdb> 69 atoms in block 60
Block first atom: 3652
Blocpdb> 64 atoms in block 61
Block first atom: 3721
Blocpdb> 47 atoms in block 62
Block first atom: 3785
Blocpdb> 61 atoms in block 63
Block first atom: 3832
Blocpdb> 60 atoms in block 64
Block first atom: 3893
Blocpdb> 58 atoms in block 65
Block first atom: 3953
Blocpdb> 91 atoms in block 66
Block first atom: 4011
Blocpdb> 61 atoms in block 67
Block first atom: 4102
Blocpdb> 61 atoms in block 68
Block first atom: 4163
Blocpdb> 67 atoms in block 69
Block first atom: 4224
Blocpdb> 71 atoms in block 70
Block first atom: 4291
Blocpdb> 46 atoms in block 71
Block first atom: 4362
Blocpdb> 60 atoms in block 72
Block first atom: 4408
Blocpdb> 61 atoms in block 73
Block first atom: 4468
Blocpdb> 71 atoms in block 74
Block first atom: 4529
Blocpdb> 60 atoms in block 75
Block first atom: 4600
Blocpdb> 56 atoms in block 76
Block first atom: 4660
Blocpdb> 60 atoms in block 77
Block first atom: 4716
Blocpdb> 63 atoms in block 78
Block first atom: 4776
Blocpdb> 75 atoms in block 79
Block first atom: 4839
Blocpdb> 73 atoms in block 80
Block first atom: 4914
Blocpdb> 56 atoms in block 81
Block first atom: 4987
Blocpdb> 58 atoms in block 82
Block first atom: 5043
Blocpdb> 75 atoms in block 83
Block first atom: 5101
Blocpdb> 62 atoms in block 84
Block first atom: 5176
Blocpdb> 66 atoms in block 85
Block first atom: 5238
Blocpdb> 79 atoms in block 86
Block first atom: 5304
Blocpdb> 62 atoms in block 87
Block first atom: 5383
Blocpdb> 57 atoms in block 88
Block first atom: 5445
Blocpdb> 58 atoms in block 89
Block first atom: 5502
Blocpdb> 59 atoms in block 90
Block first atom: 5560
Blocpdb> 68 atoms in block 91
Block first atom: 5619
Blocpdb> 47 atoms in block 92
Block first atom: 5687
Blocpdb> 50 atoms in block 93
Block first atom: 5734
Blocpdb> 57 atoms in block 94
Block first atom: 5784
Blocpdb> 75 atoms in block 95
Block first atom: 5841
Blocpdb> 53 atoms in block 96
Block first atom: 5916
Blocpdb> 68 atoms in block 97
Block first atom: 5969
Blocpdb> 56 atoms in block 98
Block first atom: 6037
Blocpdb> 61 atoms in block 99
Block first atom: 6093
Blocpdb> 52 atoms in block 100
Block first atom: 6154
Blocpdb> 68 atoms in block 101
Block first atom: 6206
Blocpdb> 75 atoms in block 102
Block first atom: 6274
Blocpdb> 46 atoms in block 103
Block first atom: 6349
Blocpdb> 71 atoms in block 104
Block first atom: 6395
Blocpdb> 68 atoms in block 105
Block first atom: 6466
Blocpdb> 56 atoms in block 106
Block first atom: 6534
Blocpdb> 66 atoms in block 107
Block first atom: 6590
Blocpdb> 56 atoms in block 108
Block first atom: 6656
Blocpdb> 72 atoms in block 109
Block first atom: 6712
Blocpdb> 60 atoms in block 110
Block first atom: 6784
Blocpdb> 74 atoms in block 111
Block first atom: 6844
Blocpdb> 57 atoms in block 112
Block first atom: 6918
Blocpdb> 55 atoms in block 113
Block first atom: 6975
Blocpdb> 75 atoms in block 114
Block first atom: 7030
Blocpdb> 60 atoms in block 115
Block first atom: 7105
Blocpdb> 72 atoms in block 116
Block first atom: 7165
Blocpdb> 66 atoms in block 117
Block first atom: 7237
Blocpdb> 51 atoms in block 118
Block first atom: 7303
Blocpdb> 67 atoms in block 119
Block first atom: 7354
Blocpdb> 66 atoms in block 120
Block first atom: 7421
Blocpdb> 51 atoms in block 121
Block first atom: 7487
Blocpdb> 50 atoms in block 122
Block first atom: 7538
Blocpdb> 68 atoms in block 123
Block first atom: 7588
Blocpdb> 46 atoms in block 124
Block first atom: 7656
Blocpdb> 51 atoms in block 125
Block first atom: 7702
Blocpdb> 68 atoms in block 126
Block first atom: 7753
Blocpdb> 73 atoms in block 127
Block first atom: 7821
Blocpdb> 64 atoms in block 128
Block first atom: 7894
Blocpdb> 62 atoms in block 129
Block first atom: 7958
Blocpdb> 56 atoms in block 130
Block first atom: 8020
Blocpdb> 47 atoms in block 131
Block first atom: 8076
Blocpdb> 48 atoms in block 132
Block first atom: 8123
Blocpdb> 66 atoms in block 133
Block first atom: 8171
Blocpdb> 66 atoms in block 134
Block first atom: 8237
Blocpdb> 51 atoms in block 135
Block first atom: 8303
Blocpdb> 76 atoms in block 136
Block first atom: 8354
Blocpdb> 74 atoms in block 137
Block first atom: 8430
Blocpdb> 61 atoms in block 138
Block first atom: 8504
Blocpdb> 59 atoms in block 139
Block first atom: 8565
Blocpdb> 63 atoms in block 140
Block first atom: 8624
Blocpdb> 69 atoms in block 141
Block first atom: 8687
Blocpdb> 72 atoms in block 142
Block first atom: 8756
Blocpdb> 48 atoms in block 143
Block first atom: 8828
Blocpdb> 70 atoms in block 144
Block first atom: 8876
Blocpdb> 61 atoms in block 145
Block first atom: 8946
Blocpdb> 74 atoms in block 146
Block first atom: 9007
Blocpdb> 62 atoms in block 147
Block first atom: 9081
Blocpdb> 81 atoms in block 148
Block first atom: 9143
Blocpdb> 55 atoms in block 149
Block first atom: 9224
Blocpdb> 77 atoms in block 150
Block first atom: 9279
Blocpdb> 67 atoms in block 151
Block first atom: 9356
Blocpdb> 61 atoms in block 152
Block first atom: 9423
Blocpdb> 69 atoms in block 153
Block first atom: 9484
Blocpdb> 56 atoms in block 154
Block first atom: 9553
Blocpdb> 63 atoms in block 155
Block first atom: 9609
Blocpdb> 65 atoms in block 156
Block first atom: 9672
Blocpdb> 43 atoms in block 157
Block first atom: 9737
Blocpdb> 68 atoms in block 158
Block first atom: 9780
Blocpdb> 64 atoms in block 159
Block first atom: 9848
Blocpdb> 53 atoms in block 160
Block first atom: 9912
Blocpdb> 47 atoms in block 161
Block first atom: 9965
Blocpdb> 69 atoms in block 162
Block first atom: 10012
Blocpdb> 62 atoms in block 163
Block first atom: 10081
Blocpdb> 67 atoms in block 164
Block first atom: 10143
Blocpdb> 57 atoms in block 165
Block first atom: 10210
Blocpdb> 74 atoms in block 166
Block first atom: 10267
Blocpdb> 67 atoms in block 167
Block first atom: 10341
Blocpdb> 64 atoms in block 168
Block first atom: 10408
Blocpdb> 71 atoms in block 169
Block first atom: 10472
Blocpdb> 66 atoms in block 170
Block first atom: 10543
Blocpdb> 61 atoms in block 171
Block first atom: 10609
Blocpdb> 24 atoms in block 172
Block first atom: 10669
Blocpdb> 172 blocks.
Blocpdb> At most, 91 atoms in each of them.
Blocpdb> At least, 24 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> 7948653 matrix lines read.
Prepmat> Matrix order = 32079
Prepmat> Matrix trace = 17523240.0000
Prepmat> Last element read: 32079 32079 362.6626
Prepmat> 14879 lines saved.
Prepmat> 13046 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: 10693
RTB> Total mass = 10693.0000
RTB> Number of atoms found in matrix: 10693
RTB> Number of blocks = 172
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 428166.3374
RTB> 63372 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 = 1032
Diagstd> Nb of non-zero elements: 63372
Diagstd> Projected matrix trace = 428166.3374
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1032 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 428166.3374
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 0.2440935 0.2643534 0.9259330 1.2137686
1.8796412 3.1346663 3.4195584 5.3754985 6.0526697
7.3688682 8.2990146 10.0665175 13.9943280 14.6931121
15.5521513 18.1130247 18.7116309 20.6637177 21.7172216
23.4339073 24.9935627 26.1747214 26.7522351 28.5604885
29.6368104 30.5349786 32.6379008 34.4443604 35.3534553
36.5589833 36.9817605 40.7695547 41.8082266 42.6170542
43.4558928 45.3857371 47.6429898 48.3616641 49.4798580
51.3652972 52.8107644 55.0121101 55.7526053 56.0194273
57.4774963 57.8739289 58.4828712 59.0849973 60.7586358
61.4774972 62.3432528 62.6787953 63.2213421 63.7556326
65.2814874 67.0375732 67.6531452 69.9200599 71.7381420
73.0331371 74.6304926 76.5553464 77.4896040 78.0968573
80.2273186 80.7856547 81.9768760 82.5448022 84.6053294
85.3431385 86.4418769 88.0379629 89.0244483 90.5241791
90.7943162 92.4469255 92.8221116 94.1630849 95.4572572
97.3303685 99.3428805 99.5116185 100.1219771 100.9493284
102.9170764 103.8860896 105.0946397 107.5986509 108.2241563
108.5252616 110.1749500 110.5746356 112.3829018 112.8352279
113.2643862 115.0405615 115.9396667 117.2383722 118.5436493
118.9456891
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034323 0.0034325 0.0034334 0.0034337 0.0034342
0.0034343 53.6504575 55.8325884 104.4924850 119.6363688
148.8787668 192.2608839 200.8076672 251.7703911 267.1583590
294.7784108 312.8301076 344.5362375 406.2293566 416.2480160
428.2432402 462.1583141 469.7330323 493.6276867 506.0546406
525.6753756 542.8869015 555.5668373 561.6623548 580.3341081
591.1681274 600.0591885 620.3780017 637.3152972 645.6709001
656.5870832 660.3726392 693.3671532 702.1439426 708.9032932
715.8460271 731.5684653 749.5399479 755.1720340 763.8524969
778.2698077 789.1444513 805.4237507 810.8263684 812.7642871
823.2736234 826.1078775 830.4426071 834.7066826 846.4460594
851.4386675 857.4128922 859.7171702 863.4300029 867.0707981
877.3851929 889.1078041 893.1805892 908.0215927 919.7511560
928.0155604 938.1092849 950.1300266 955.9099913 959.6482136
972.6496140 976.0282875 983.1979452 986.5978073 998.8358938
1003.1816632 1009.6186733 1018.8969744 1024.5895583 1033.1837759
1034.7242118 1044.0986075 1046.2151443 1053.7452244 1060.9618210
1071.3206206 1082.3398645 1083.2586739 1086.5757011 1091.0558876
1101.6382345 1106.8123080 1113.2316960 1126.4156954 1129.6850586
1131.2554929 1139.8211499 1141.8867635 1151.1857396 1153.5000974
1155.6916307 1164.7179715 1169.2605686 1175.7911046 1182.3183406
1184.3215550
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 10693
Rtb_to_modes> Number of blocs = 172
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: 9.9903E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9914E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9967E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9988E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0002E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 0.2441
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.2644
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 0.9259
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 1.214
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 1.880
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 3.135
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 3.420
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 5.375
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 6.053
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 7.369
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 8.299
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 10.07
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 13.99
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 14.69
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 15.55
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 18.11
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 18.71
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 20.66
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 21.72
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 23.43
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 24.99
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 26.17
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 26.75
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 28.56
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 29.64
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 30.53
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 32.64
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 34.44
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 35.35
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 36.56
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 36.98
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 40.77
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 41.81
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 42.62
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 43.46
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 45.39
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 47.64
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 48.36
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 49.48
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 51.37
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 52.81
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 55.01
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 55.75
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 56.02
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 57.48
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 57.87
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 58.48
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 59.08
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 60.76
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 61.48
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 62.34
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 62.68
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 63.22
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 63.76
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 65.28
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 67.04
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 67.65
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 69.92
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 71.74
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 73.03
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 74.63
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 76.56
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 77.49
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 78.10
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 80.23
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 80.79
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 81.98
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 82.54
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 84.61
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 85.34
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 86.44
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 88.04
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 89.02
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 90.52
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 90.79
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 92.45
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 92.82
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 94.16
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 95.46
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 97.33
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 99.34
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 99.51
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 100.1
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 100.9
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 102.9
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 103.9
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 105.1
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 107.6
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 108.2
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 108.5
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 110.2
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 110.6
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 112.4
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 112.8
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 113.3
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 115.0
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 115.9
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 117.2
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 118.5
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 118.9
Rtb_to_modes> 106 vectors, with 1032 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00001 1.00000 1.00000 0.99999 0.99997
1.00000 1.00000 1.00000 1.00000 1.00001
0.99999 0.99999 1.00000 1.00000 0.99998
1.00000 0.99999 1.00002 1.00000 1.00001
1.00001 1.00001 1.00000 0.99997 1.00002
0.99997 0.99999 1.00000 0.99998 1.00001
0.99998 1.00001 0.99995 1.00002 0.99999
1.00001 1.00001 0.99999 1.00001 1.00002
0.99999 0.99998 0.99999 0.99997 1.00000
1.00000 0.99999 0.99999 1.00001 1.00001
0.99999 1.00002 1.00001 1.00000 1.00000
1.00001 0.99999 0.99999 0.99998 0.99998
1.00000 0.99999 0.99997 0.99999 1.00001
0.99999 1.00001 0.99998 1.00001 1.00001
1.00000 1.00000 1.00003 1.00000 1.00000
1.00001 1.00002 0.99999 0.99999 0.99996
1.00003 1.00000 1.00003 0.99998 0.99999
1.00000 0.99999 1.00000 1.00000 1.00000
0.99999 1.00001 0.99999 0.99999 1.00000
0.99998 1.00002 0.99999 1.00002 1.00001
1.00001 1.00001 0.99998 1.00002 1.00000
1.00000
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 192474 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00001 1.00000 1.00000 0.99999 0.99997
1.00000 1.00000 1.00000 1.00000 1.00001
0.99999 0.99999 1.00000 1.00000 0.99998
1.00000 0.99999 1.00002 1.00000 1.00001
1.00001 1.00001 1.00000 0.99997 1.00002
0.99997 0.99999 1.00000 0.99998 1.00001
0.99998 1.00001 0.99995 1.00002 0.99999
1.00001 1.00001 0.99999 1.00001 1.00002
0.99999 0.99998 0.99999 0.99997 1.00000
1.00000 0.99999 0.99999 1.00001 1.00001
0.99999 1.00002 1.00001 1.00000 1.00000
1.00001 0.99999 0.99999 0.99998 0.99998
1.00000 0.99999 0.99997 0.99999 1.00001
0.99999 1.00001 0.99998 1.00001 1.00001
1.00000 1.00000 1.00003 1.00000 1.00000
1.00001 1.00002 0.99999 0.99999 0.99996
1.00003 1.00000 1.00003 0.99998 0.99999
1.00000 0.99999 1.00000 1.00000 1.00000
0.99999 1.00001 0.99999 0.99999 1.00000
0.99998 1.00002 0.99999 1.00002 1.00001
1.00001 1.00001 0.99998 1.00002 1.00000
1.00000
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> 2407140045133527185.eigenfacs
Openam> file on opening on unit 10:
2407140045133527185.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2407140045133527185.atom
Openam> file on opening on unit 11:
2407140045133527185.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 = 686
First residue number = 1
Last residue number = 686
Number of atoms found = 10693
Mean number per residue = 15.6
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9903E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9914E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9967E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9988E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0001E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0002E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2441
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2644
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9259
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 1.214
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.880
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 3.135
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 3.420
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 5.375
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 6.053
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 7.369
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 8.299
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 10.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 13.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 14.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 15.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 18.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 18.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 20.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 21.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 23.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 24.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 26.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 26.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 28.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 29.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 30.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 32.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 34.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 35.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 36.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 36.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 40.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 41.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 42.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 43.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 45.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 47.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 48.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 49.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 51.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 52.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 55.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 55.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 56.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 57.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 57.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 58.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 59.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 60.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 61.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 62.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 62.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 63.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 63.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 65.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 67.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 67.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 69.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 71.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 73.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 74.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 76.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 77.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 78.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 80.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 80.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 81.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 82.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 84.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 85.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 86.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 88.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 89.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 90.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 90.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 92.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 92.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 94.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 95.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 97.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 99.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 99.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 100.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 100.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 102.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 103.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 105.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 107.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 108.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 108.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 110.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 110.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 112.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 112.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 113.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 115.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 115.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 117.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 118.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 118.9
Bfactors> 106 vectors, 32079 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 : 0.244100
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= 0.163 for 686 C-alpha atoms.
Bfactors> = 0.019 +/- 0.02
Bfactors> = 1.679 +/- 1.31
Bfactors> Shiftng-fct= 1.660
Bfactors> Scaling-fct= 55.980
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
Chkmod> Version 1.00, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2407140045133527185.eigenfacs
Openam> file on opening on unit 10:
2407140045133527185.eigenfacs
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Frequence du vecteur en lecture: 3.4321E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Frequence du vecteur en lecture: 3.4323E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Frequence du vecteur en lecture: 3.4332E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Frequence du vecteur en lecture: 3.4336E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Frequence du vecteur en lecture: 3.4340E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Frequence du vecteur en lecture: 3.4342E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Frequence du vecteur en lecture: 53.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Frequence du vecteur en lecture: 55.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Frequence du vecteur en lecture: 104.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Frequence du vecteur en lecture: 119.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Frequence du vecteur en lecture: 148.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Frequence du vecteur en lecture: 192.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Frequence du vecteur en lecture: 200.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Frequence du vecteur en lecture: 251.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Frequence du vecteur en lecture: 267.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Frequence du vecteur en lecture: 294.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Frequence du vecteur en lecture: 312.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Frequence du vecteur en lecture: 344.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Frequence du vecteur en lecture: 406.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Frequence du vecteur en lecture: 416.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Frequence du vecteur en lecture: 428.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Frequence du vecteur en lecture: 462.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Frequence du vecteur en lecture: 469.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Frequence du vecteur en lecture: 493.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Frequence du vecteur en lecture: 506.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Frequence du vecteur en lecture: 525.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Frequence du vecteur en lecture: 542.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Frequence du vecteur en lecture: 555.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Frequence du vecteur en lecture: 561.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Frequence du vecteur en lecture: 580.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Frequence du vecteur en lecture: 591.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Frequence du vecteur en lecture: 600.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Frequence du vecteur en lecture: 620.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Frequence du vecteur en lecture: 637.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Frequence du vecteur en lecture: 645.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Frequence du vecteur en lecture: 656.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Frequence du vecteur en lecture: 660.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Frequence du vecteur en lecture: 693.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Frequence du vecteur en lecture: 702.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Frequence du vecteur en lecture: 708.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Frequence du vecteur en lecture: 715.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Frequence du vecteur en lecture: 731.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Frequence du vecteur en lecture: 749.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Frequence du vecteur en lecture: 755.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Frequence du vecteur en lecture: 763.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Frequence du vecteur en lecture: 778.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Frequence du vecteur en lecture: 789.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Frequence du vecteur en lecture: 805.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Frequence du vecteur en lecture: 810.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Frequence du vecteur en lecture: 812.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Frequence du vecteur en lecture: 823.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Frequence du vecteur en lecture: 826.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Frequence du vecteur en lecture: 830.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Frequence du vecteur en lecture: 834.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Frequence du vecteur en lecture: 846.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Frequence du vecteur en lecture: 851.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Frequence du vecteur en lecture: 857.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Frequence du vecteur en lecture: 859.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Frequence du vecteur en lecture: 863.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Frequence du vecteur en lecture: 867.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Frequence du vecteur en lecture: 877.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Frequence du vecteur en lecture: 889.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Frequence du vecteur en lecture: 893.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Frequence du vecteur en lecture: 908.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Frequence du vecteur en lecture: 919.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Frequence du vecteur en lecture: 928.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Frequence du vecteur en lecture: 938.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Frequence du vecteur en lecture: 950.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Frequence du vecteur en lecture: 955.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Frequence du vecteur en lecture: 959.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Frequence du vecteur en lecture: 972.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Frequence du vecteur en lecture: 976.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Frequence du vecteur en lecture: 983.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Frequence du vecteur en lecture: 986.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Frequence du vecteur en lecture: 998.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Frequence du vecteur en lecture: 1003.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Frequence du vecteur en lecture: 1010.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Frequence du vecteur en lecture: 1019.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Frequence du vecteur en lecture: 1025.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Frequence du vecteur en lecture: 1033.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Frequence du vecteur en lecture: 1035.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Frequence du vecteur en lecture: 1044.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Frequence du vecteur en lecture: 1046.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Frequence du vecteur en lecture: 1054.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Frequence du vecteur en lecture: 1061.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Frequence du vecteur en lecture: 1071.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Frequence du vecteur en lecture: 1082.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Frequence du vecteur en lecture: 1083.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Frequence du vecteur en lecture: 1086.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Frequence du vecteur en lecture: 1091.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Frequence du vecteur en lecture: 1101.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Frequence du vecteur en lecture: 1107.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Frequence du vecteur en lecture: 1113.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Frequence du vecteur en lecture: 1126.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Frequence du vecteur en lecture: 1130.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Frequence du vecteur en lecture: 1131.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Frequence du vecteur en lecture: 1140.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Frequence du vecteur en lecture: 1142.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Frequence du vecteur en lecture: 1151.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Frequence du vecteur en lecture: 1153.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Frequence du vecteur en lecture: 1156.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Frequence du vecteur en lecture: 1164.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Frequence du vecteur en lecture: 1169.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Frequence du vecteur en lecture: 1176.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Frequence du vecteur en lecture: 1182.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Frequence du vecteur en lecture: 1184.
Chkmod> 106 vectors, 32079 coordinates in file.
Chkmod> That is: 10693 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 0.6210
0.0034 0.7228
0.0034 0.6802
0.0034 0.5799
0.0034 0.8970
0.0034 0.9431
53.6489 0.4942
55.8351 0.4648
104.4861 0.4334
119.6426 0.4909
148.8866 0.6054
192.2629 0.6868
200.8120 0.5633
251.7479 0.6072
267.1542 0.5610
294.7684 0.6300
312.8164 0.6131
344.5810 0.5774
406.1491 0.5640
416.1861 0.5701
428.1952 0.3632
462.0999 0.5248
469.6924 0.3631
493.5621 0.3983
506.0653 0.4280
525.6090 0.3065
542.8249 0.0899
555.4929 0.5027
561.6148 0.5131
580.3042 0.4589
591.1746 0.4676
599.9845 0.3410
620.3713 0.2557
637.2476 0.2204
645.6116 0.4103
656.5680 0.1778
660.3286 0.3969
693.3412 0.3663
702.1287 0.2520
708.8974 0.3879
715.8491 0.4225
731.5714 0.2210
749.4843 0.2316
755.1266 0.3288
763.8208 0.3573
778.2720 0.3711
789.1049 0.3926
805.3737 0.3910
810.7726 0.3659
812.7336 0.3480
823.2562 0.3632
826.0444 0.4043
830.3866 0.3621
834.6356 0.3486
846.4192 0.2919
851.4194 0.4214
857.3537 0.4346
859.6885 0.4452
863.3838 0.4514
867.0633 0.3125
877.3375 0.1879
889.0857 0.5745
893.1215 0.4288
907.9822 0.4199
919.7236 0.4984
927.9558 0.3183
938.0659 0.5476
950.1181 0.1241
955.8714 0.4516
959.6263 0.3640
972.6241 0.3646
976.0126 0.2767
983.1745 0.1628
986.5268 0.3555
998.8206 0.3116
1003.1202 0.4131
1009.5644 0.3735
1018.8650 0.4479
1024.5200 0.4127
1033.1156 0.3460
1034.6552 0.2513
1044.0711 0.4043
1046.1583 0.4222
1053.6827 0.2951
1060.9315 0.3843
1071.2726 0.4332
1082.2777 0.1478
1083.2034 0.4997
1086.4098 0.3958
1090.7425 0.4160
1101.4995 0.3938
1106.8389 0.4379
1113.2123 0.4369
1126.3744 0.4481
1129.5105 0.2630
1131.0753 0.3367
1139.9018 0.5018
1141.9687 0.4762
1151.2239 0.3858
1153.2705 0.3758
1155.8237 0.3928
1164.4626 0.5180
1169.0103 0.5129
1175.5482 0.3037
1182.0499 0.3342
1184.0432 0.5166
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> 2407140045133527185.eigenfacs
Openam> file on opening on unit 10:
2407140045133527185.eigenfacs
Getnam> Pdb file with the reference structure ?
Getnam> 2407140045133527185.atom
Openam> file on opening on unit 11:
2407140045133527185.atom
Getnam> Pdb file with the other conformer ?
Getnam> 2407140045133527185.atom2
Openam> file on opening on unit 12:
2407140045133527185.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: 3.4321E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Frequence du vecteur en lecture: 3.4323E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Frequence du vecteur en lecture: 3.4332E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Frequence du vecteur en lecture: 3.4336E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Frequence du vecteur en lecture: 3.4340E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Frequence du vecteur en lecture: 3.4342E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Frequence du vecteur en lecture: 53.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Frequence du vecteur en lecture: 55.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Frequence du vecteur en lecture: 104.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Frequence du vecteur en lecture: 119.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Frequence du vecteur en lecture: 148.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Frequence du vecteur en lecture: 192.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Frequence du vecteur en lecture: 200.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Frequence du vecteur en lecture: 251.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Frequence du vecteur en lecture: 267.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Frequence du vecteur en lecture: 294.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Frequence du vecteur en lecture: 312.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Frequence du vecteur en lecture: 344.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Frequence du vecteur en lecture: 406.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Frequence du vecteur en lecture: 416.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Frequence du vecteur en lecture: 428.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Frequence du vecteur en lecture: 462.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Frequence du vecteur en lecture: 469.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Frequence du vecteur en lecture: 493.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Frequence du vecteur en lecture: 506.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Frequence du vecteur en lecture: 525.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Frequence du vecteur en lecture: 542.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Frequence du vecteur en lecture: 555.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Frequence du vecteur en lecture: 561.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Frequence du vecteur en lecture: 580.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Frequence du vecteur en lecture: 591.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Frequence du vecteur en lecture: 600.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Frequence du vecteur en lecture: 620.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Frequence du vecteur en lecture: 637.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Frequence du vecteur en lecture: 645.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Frequence du vecteur en lecture: 656.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Frequence du vecteur en lecture: 660.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Frequence du vecteur en lecture: 693.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Frequence du vecteur en lecture: 702.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Frequence du vecteur en lecture: 708.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Frequence du vecteur en lecture: 715.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Frequence du vecteur en lecture: 731.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Frequence du vecteur en lecture: 749.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Frequence du vecteur en lecture: 755.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Frequence du vecteur en lecture: 763.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Frequence du vecteur en lecture: 778.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Frequence du vecteur en lecture: 789.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Frequence du vecteur en lecture: 805.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Frequence du vecteur en lecture: 810.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Frequence du vecteur en lecture: 812.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Frequence du vecteur en lecture: 823.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Frequence du vecteur en lecture: 826.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Frequence du vecteur en lecture: 830.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Frequence du vecteur en lecture: 834.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Frequence du vecteur en lecture: 846.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Frequence du vecteur en lecture: 851.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Frequence du vecteur en lecture: 857.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Frequence du vecteur en lecture: 859.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Frequence du vecteur en lecture: 863.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Frequence du vecteur en lecture: 867.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Frequence du vecteur en lecture: 877.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Frequence du vecteur en lecture: 889.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Frequence du vecteur en lecture: 893.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Frequence du vecteur en lecture: 908.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Frequence du vecteur en lecture: 919.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Frequence du vecteur en lecture: 928.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Frequence du vecteur en lecture: 938.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Frequence du vecteur en lecture: 950.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Frequence du vecteur en lecture: 955.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Frequence du vecteur en lecture: 959.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Frequence du vecteur en lecture: 972.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Frequence du vecteur en lecture: 976.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Frequence du vecteur en lecture: 983.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Frequence du vecteur en lecture: 986.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Frequence du vecteur en lecture: 998.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Frequence du vecteur en lecture: 1003.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Frequence du vecteur en lecture: 1010.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Frequence du vecteur en lecture: 1019.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Frequence du vecteur en lecture: 1025.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Frequence du vecteur en lecture: 1033.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Frequence du vecteur en lecture: 1035.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Frequence du vecteur en lecture: 1044.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Frequence du vecteur en lecture: 1046.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Frequence du vecteur en lecture: 1054.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Frequence du vecteur en lecture: 1061.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Frequence du vecteur en lecture: 1071.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Frequence du vecteur en lecture: 1082.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Frequence du vecteur en lecture: 1083.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Frequence du vecteur en lecture: 1086.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Frequence du vecteur en lecture: 1091.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Frequence du vecteur en lecture: 1101.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Frequence du vecteur en lecture: 1107.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Frequence du vecteur en lecture: 1113.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Frequence du vecteur en lecture: 1126.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Frequence du vecteur en lecture: 1130.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Frequence du vecteur en lecture: 1131.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Frequence du vecteur en lecture: 1140.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Frequence du vecteur en lecture: 1142.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Frequence du vecteur en lecture: 1151.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Frequence du vecteur en lecture: 1153.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Frequence du vecteur en lecture: 1156.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Frequence du vecteur en lecture: 1164.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Frequence du vecteur en lecture: 1169.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Frequence du vecteur en lecture: 1176.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Frequence du vecteur en lecture: 1182.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Frequence du vecteur en lecture: 1184.
Projmod> 106 vectors, 32079 coordinates in file.
Rdatompdb> Reading pdb file.
Rdatompdb> End of file reached.
Rdatompdb> Number of I/O errors: 0
Rdatompdb> Number of residues found = 686
First residue number = 1
Last residue number = 686
Number of atoms found = 10693
Mean number per residue = 15.6
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 = 686
First residue number = 1
Last residue number = 686
Number of atoms found = 10693
Mean number per residue = 15.6
%Projmod-Wn> Atom 4140 has name CA in a file and H in the other.
%Projmod-Wn> Atom 4141 has name CB in a file and CA in the other.
%Projmod-Wn> Atom 4142 has name CG in a file and HA in the other.
%Projmod-Wn> Atom 4143 has name ND1 in a file and CB in the other.
%Projmod-Wn> ...
%Projmod-Wn> Atom 4149 belongs to residue GLY in a file and HIS in the other.
%Projmod-Wn> Atom 4150 belongs to residue GLY in a file and HIS in the other.
%Projmod-Wn> Atom 4151 belongs to residue GLY in a file and HIS in the other.
%Projmod-Wn> Atom 4152 belongs to residue GLY in a file and HIS in the other.
%Projmod-Wn> ...
%Projmod-Wn> 3454 atoms have different names in the two pdb files.
%Projmod-Wn> 1519 atoms belong to different residues in the two pdb files.
Projmod> File dr.res: displacement=f(atom number).
Projmod> 10693 atoms are considered.
Projmod> Atomic r.m.s. displacements= 46.19
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= -0.058 Sum= 0.003 q= -277.4841
Vector: 2 F= 0.00 Cos= -0.033 Sum= 0.004 q= -159.9168
Vector: 3 F= 0.00 Cos= -0.425 Sum= 0.185 q= -2027.5925
Vector: 4 F= 0.00 Cos= 0.329 Sum= 0.293 q= 1570.6388
Vector: 5 F= 0.00 Cos= 0.244 Sum= 0.353 q= 1167.1902
Vector: 6 F= 0.00 Cos= 0.483 Sum= 0.586 q= 2306.7322
Vector: 7 F= 53.65 Cos= -0.171 Sum= 0.615 q= -818.7382
Vector: 8 F= 55.84 Cos= -0.193 Sum= 0.653 q= -922.5487
Vector: 9 F= 104.49 Cos= -0.012 Sum= 0.653 q= -58.0194
Vector: 10 F= 119.64 Cos= -0.374 Sum= 0.792 q= -1784.9807
Vector: 11 F= 148.89 Cos= -0.042 Sum= 0.794 q= -200.7137
Vector: 12 F= 192.26 Cos= 0.255 Sum= 0.859 q= 1217.8512
Vector: 13 F= 200.81 Cos= -0.024 Sum= 0.860 q= -114.7163
Vector: 14 F= 251.75 Cos= 0.054 Sum= 0.863 q= 257.4997
Vector: 15 F= 267.15 Cos= 0.127 Sum= 0.879 q= 605.6112
Vector: 16 F= 294.77 Cos= -0.042 Sum= 0.880 q= -199.3626
Vector: 17 F= 312.82 Cos= 0.142 Sum= 0.901 q= 677.7119
Vector: 18 F= 344.58 Cos= -0.074 Sum= 0.906 q= -353.0450
Vector: 19 F= 406.15 Cos= 0.095 Sum= 0.915 q= 452.2027
Vector: 20 F= 416.19 Cos= 0.047 Sum= 0.917 q= 222.3187
Vector: 21 F= 428.20 Cos= -0.030 Sum= 0.918 q= -142.8933
Vector: 22 F= 462.10 Cos= -0.040 Sum= 0.920 q= -189.2393
Vector: 23 F= 469.69 Cos= -0.013 Sum= 0.920 q= -61.0754
Vector: 24 F= 493.56 Cos= 0.002 Sum= 0.920 q= 7.2331
Vector: 25 F= 506.07 Cos= 0.019 Sum= 0.920 q= 88.3924
Vector: 26 F= 525.61 Cos= -0.045 Sum= 0.922 q= -216.5944
Vector: 27 F= 542.82 Cos= -0.009 Sum= 0.922 q= -44.3775
Vector: 28 F= 555.49 Cos= 0.055 Sum= 0.925 q= 261.8046
Vector: 29 F= 561.61 Cos= 0.024 Sum= 0.926 q= 112.5981
Vector: 30 F= 580.30 Cos= -0.070 Sum= 0.931 q= -333.0753
Vector: 31 F= 591.17 Cos= 0.054 Sum= 0.934 q= 256.9354
Vector: 32 F= 599.98 Cos= 0.028 Sum= 0.934 q= 132.0808
Vector: 33 F= 620.37 Cos= -0.007 Sum= 0.934 q= -31.8355
Vector: 34 F= 637.25 Cos= -0.026 Sum= 0.935 q= -123.6439
Vector: 35 F= 645.61 Cos= -0.004 Sum= 0.935 q= -18.0387
Vector: 36 F= 656.57 Cos= -0.005 Sum= 0.935 q= -25.5082
Vector: 37 F= 660.33 Cos= 0.010 Sum= 0.935 q= 47.5375
Vector: 38 F= 693.34 Cos= 0.011 Sum= 0.935 q= 52.9233
Vector: 39 F= 702.13 Cos= 0.004 Sum= 0.935 q= 20.5235
Vector: 40 F= 708.90 Cos= 0.013 Sum= 0.936 q= 63.5829
Vector: 41 F= 715.85 Cos= -0.014 Sum= 0.936 q= -67.9632
Vector: 42 F= 731.57 Cos= -0.005 Sum= 0.936 q= -21.7861
Vector: 43 F= 749.48 Cos= 0.013 Sum= 0.936 q= 60.7809
Vector: 44 F= 755.13 Cos= -0.003 Sum= 0.936 q= -14.4758
Vector: 45 F= 763.82 Cos= 0.030 Sum= 0.937 q= 144.2478
Vector: 46 F= 778.27 Cos= 0.001 Sum= 0.937 q= 4.9748
Vector: 47 F= 789.10 Cos= -0.003 Sum= 0.937 q= -13.4718
Vector: 48 F= 805.37 Cos= -0.016 Sum= 0.937 q= -76.7307
Vector: 49 F= 810.77 Cos= -0.035 Sum= 0.938 q= -167.7936
Vector: 50 F= 812.73 Cos= -0.004 Sum= 0.938 q= -20.2270
Vector: 51 F= 823.26 Cos= 0.074 Sum= 0.944 q= 354.7441
Vector: 52 F= 826.04 Cos= 0.044 Sum= 0.946 q= 212.0595
Vector: 53 F= 830.39 Cos= -0.030 Sum= 0.947 q= -143.8404
Vector: 54 F= 834.64 Cos= 0.006 Sum= 0.947 q= 26.4684
Vector: 55 F= 846.42 Cos= -0.007 Sum= 0.947 q= -34.6798
Vector: 56 F= 851.42 Cos= -0.023 Sum= 0.947 q= -110.2192
Vector: 57 F= 857.35 Cos= -0.003 Sum= 0.947 q= -12.3238
Vector: 58 F= 859.69 Cos= -0.031 Sum= 0.948 q= -150.3473
Vector: 59 F= 863.38 Cos= -0.009 Sum= 0.948 q= -43.6011
Vector: 60 F= 867.06 Cos= 0.021 Sum= 0.949 q= 100.1742
Vector: 61 F= 877.34 Cos= -0.016 Sum= 0.949 q= -76.0660
Vector: 62 F= 889.09 Cos= 0.007 Sum= 0.949 q= 32.8622
Vector: 63 F= 893.12 Cos= -0.008 Sum= 0.949 q= -39.9464
Vector: 64 F= 907.98 Cos= -0.001 Sum= 0.949 q= -4.3710
Vector: 65 F= 919.72 Cos= 0.012 Sum= 0.949 q= 55.5828
Vector: 66 F= 927.96 Cos= -0.004 Sum= 0.949 q= -20.8976
Vector: 67 F= 938.07 Cos= -0.029 Sum= 0.950 q= -136.7022
Vector: 68 F= 950.12 Cos= -0.013 Sum= 0.950 q= -60.6801
Vector: 69 F= 955.87 Cos= 0.002 Sum= 0.950 q= 10.8249
Vector: 70 F= 959.63 Cos= -0.003 Sum= 0.950 q= -13.6794
Vector: 71 F= 972.62 Cos= -0.001 Sum= 0.950 q= -3.3743
Vector: 72 F= 976.01 Cos= -0.022 Sum= 0.951 q= -106.9306
Vector: 73 F= 983.17 Cos= -0.034 Sum= 0.952 q= -162.3755
Vector: 74 F= 986.53 Cos= -0.000 Sum= 0.952 q= -2.1382
Vector: 75 F= 998.82 Cos= -0.002 Sum= 0.952 q= -8.0443
Vector: 76 F= 1003.12 Cos= -0.005 Sum= 0.952 q= -23.1958
Vector: 77 F= 1009.56 Cos= -0.001 Sum= 0.952 q= -6.4553
Vector: 78 F= 1018.87 Cos= -0.008 Sum= 0.952 q= -39.0145
Vector: 79 F= 1024.52 Cos= 0.017 Sum= 0.952 q= 79.4499
Vector: 80 F= 1033.12 Cos= 0.007 Sum= 0.953 q= 33.1004
Vector: 81 F= 1034.66 Cos= 0.010 Sum= 0.953 q= 45.5092
Vector: 82 F= 1044.07 Cos= -0.009 Sum= 0.953 q= -40.6336
Vector: 83 F= 1046.16 Cos= -0.005 Sum= 0.953 q= -22.8188
Vector: 84 F= 1053.68 Cos= 0.014 Sum= 0.953 q= 68.3288
Vector: 85 F= 1060.93 Cos= 0.019 Sum= 0.953 q= 91.9821
Vector: 86 F= 1071.27 Cos= 0.011 Sum= 0.953 q= 54.2636
Vector: 87 F= 1082.28 Cos= 0.003 Sum= 0.953 q= 12.1083
Vector: 88 F= 1083.20 Cos= -0.009 Sum= 0.953 q= -41.0179
Vector: 89 F= 1086.41 Cos= 0.010 Sum= 0.954 q= 48.4405
Vector: 90 F= 1090.74 Cos= -0.009 Sum= 0.954 q= -44.1516
Vector: 91 F= 1101.50 Cos= 0.007 Sum= 0.954 q= 33.0288
Vector: 92 F= 1106.84 Cos= 0.002 Sum= 0.954 q= 10.5707
Vector: 93 F= 1113.21 Cos= 0.024 Sum= 0.954 q= 114.1551
Vector: 94 F= 1126.37 Cos= 0.031 Sum= 0.955 q= 149.3312
Vector: 95 F= 1129.51 Cos= -0.005 Sum= 0.955 q= -25.3936
Vector: 96 F= 1131.08 Cos= -0.016 Sum= 0.956 q= -77.0188
Vector: 97 F= 1139.90 Cos= 0.016 Sum= 0.956 q= 77.9300
Vector: 98 F= 1141.97 Cos= 0.020 Sum= 0.956 q= 94.0997
Vector: 99 F= 1151.22 Cos= 0.005 Sum= 0.956 q= 22.0938
Vector: 100 F= 1153.27 Cos= -0.001 Sum= 0.956 q= -4.7987
Vector: 101 F= 1155.82 Cos= -0.024 Sum= 0.957 q= -112.4549
Vector: 102 F= 1164.46 Cos= 0.029 Sum= 0.958 q= 140.0718
Vector: 103 F= 1169.01 Cos= 0.003 Sum= 0.958 q= 14.5255
Vector: 104 F= 1175.55 Cos= 0.014 Sum= 0.958 q= 67.1356
Vector: 105 F= 1182.05 Cos= 0.003 Sum= 0.958 q= 14.6658
Vector: 106 F= 1184.04 Cos= 0.012 Sum= 0.958 q= 57.0726
Projmod> Best zero-frequency found : 0.003432
Projmod> 6 frequencies less than: 0.003434
Projmod> Lowest non-zero frequency : 53.648864
Projmod> Best overlap with diff.vect. = 0.48 for mode 6 with F= 0.00 cm-1.
Projmod> 1-3-6-9-12-all-best contrb. = 0.233 0.553 0.786 0.873 0.903 0.958
Projmod> Normal end.
getting mode 7
running: ../../bin/get_modes.sh 2407140045133527185 7 -100 100 10 on on
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-90
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-80
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-70
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-60
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-50
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-40
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-30
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-20
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-10
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=0
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=10
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=20
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=30
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=40
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=50
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=60
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=70
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=80
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=90
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=100
2407140045133527185.eigenfacs
2407140045133527185.atom
making animated gifs
21 models are in 2407140045133527185.7.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2407140045133527185.7.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2407140045133527185.7.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 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=-100 686 28.877 399 0.737
MODEL 2 MODE=7 DQ=-90 686 28.909 399 0.737
MODEL 3 MODE=7 DQ=-80 686 28.940 397 0.701
MODEL 4 MODE=7 DQ=-70 686 28.972 397 0.700
MODEL 5 MODE=7 DQ=-60 686 29.003 397 0.700
MODEL 6 MODE=7 DQ=-50 686 29.035 397 0.700
MODEL 7 MODE=7 DQ=-40 686 29.066 397 0.700
MODEL 8 MODE=7 DQ=-30 686 29.097 397 0.700
MODEL 9 MODE=7 DQ=-20 686 29.128 397 0.705
MODEL 10 MODE=7 DQ=-10 686 29.159 397 0.705
MODEL 11 MODE=7 DQ=0 686 29.190 397 0.705
MODEL 12 MODE=7 DQ=10 686 29.221 397 0.705
MODEL 13 MODE=7 DQ=20 686 29.251 398 0.716
MODEL 14 MODE=7 DQ=30 686 29.282 398 0.716
MODEL 15 MODE=7 DQ=40 686 29.312 398 0.716
MODEL 16 MODE=7 DQ=50 686 29.342 398 0.716
MODEL 17 MODE=7 DQ=60 686 29.372 398 0.716
MODEL 18 MODE=7 DQ=70 686 29.402 397 0.706
MODEL 19 MODE=7 DQ=80 686 29.432 397 0.706
MODEL 20 MODE=7 DQ=90 686 29.461 397 0.706
MODEL 21 MODE=7 DQ=100 686 29.491 397 0.707
getting mode 8
running: ../../bin/get_modes.sh 2407140045133527185 8 -100 100 10 on on
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-90
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-80
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-70
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-60
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-50
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-40
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-30
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-20
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-10
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=0
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=10
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=20
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=30
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=40
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=50
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=60
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=70
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=80
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=90
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=100
2407140045133527185.eigenfacs
2407140045133527185.atom
making animated gifs
21 models are in 2407140045133527185.8.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2407140045133527185.8.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2407140045133527185.8.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 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=-100 686 28.896 398 0.720
MODEL 2 MODE=8 DQ=-90 686 28.924 398 0.719
MODEL 3 MODE=8 DQ=-80 686 28.953 398 0.719
MODEL 4 MODE=8 DQ=-70 686 28.983 398 0.721
MODEL 5 MODE=8 DQ=-60 686 29.012 398 0.720
MODEL 6 MODE=8 DQ=-50 686 29.041 397 0.709
MODEL 7 MODE=8 DQ=-40 686 29.071 397 0.708
MODEL 8 MODE=8 DQ=-30 686 29.100 397 0.707
MODEL 9 MODE=8 DQ=-20 686 29.130 397 0.706
MODEL 10 MODE=8 DQ=-10 686 29.160 397 0.705
MODEL 11 MODE=8 DQ=0 686 29.190 397 0.705
MODEL 12 MODE=8 DQ=10 686 29.220 397 0.704
MODEL 13 MODE=8 DQ=20 686 29.250 397 0.704
MODEL 14 MODE=8 DQ=30 686 29.281 397 0.704
MODEL 15 MODE=8 DQ=40 686 29.311 397 0.703
MODEL 16 MODE=8 DQ=50 686 29.342 397 0.703
MODEL 17 MODE=8 DQ=60 686 29.372 397 0.703
MODEL 18 MODE=8 DQ=70 686 29.403 397 0.703
MODEL 19 MODE=8 DQ=80 686 29.434 397 0.703
MODEL 20 MODE=8 DQ=90 686 29.465 397 0.703
MODEL 21 MODE=8 DQ=100 686 29.496 397 0.699
getting mode 9
running: ../../bin/get_modes.sh 2407140045133527185 9 -100 100 10 on on
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-90
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-80
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-70
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-60
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-50
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-40
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-30
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-20
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-10
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=0
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=10
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=20
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=30
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=40
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=50
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=60
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=70
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=80
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=90
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=100
2407140045133527185.eigenfacs
2407140045133527185.atom
making animated gifs
21 models are in 2407140045133527185.9.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2407140045133527185.9.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2407140045133527185.9.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 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=-100 686 29.169 399 0.767
MODEL 2 MODE=9 DQ=-90 686 29.169 399 0.762
MODEL 3 MODE=9 DQ=-80 686 29.171 399 0.758
MODEL 4 MODE=9 DQ=-70 686 29.172 399 0.755
MODEL 5 MODE=9 DQ=-60 686 29.174 399 0.751
MODEL 6 MODE=9 DQ=-50 686 29.176 399 0.748
MODEL 7 MODE=9 DQ=-40 686 29.178 398 0.730
MODEL 8 MODE=9 DQ=-30 686 29.180 397 0.708
MODEL 9 MODE=9 DQ=-20 686 29.183 397 0.705
MODEL 10 MODE=9 DQ=-10 686 29.186 397 0.702
MODEL 11 MODE=9 DQ=0 686 29.190 397 0.705
MODEL 12 MODE=9 DQ=10 686 29.194 397 0.702
MODEL 13 MODE=9 DQ=20 686 29.198 397 0.700
MODEL 14 MODE=9 DQ=30 686 29.202 397 0.699
MODEL 15 MODE=9 DQ=40 686 29.207 398 0.708
MODEL 16 MODE=9 DQ=50 686 29.212 397 0.696
MODEL 17 MODE=9 DQ=60 686 29.217 398 0.715
MODEL 18 MODE=9 DQ=70 686 29.223 398 0.715
MODEL 19 MODE=9 DQ=80 686 29.229 398 0.715
MODEL 20 MODE=9 DQ=90 686 29.235 397 0.706
MODEL 21 MODE=9 DQ=100 686 29.241 397 0.706
getting mode 10
running: ../../bin/get_modes.sh 2407140045133527185 10 -100 100 10 on on
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-90
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-80
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-70
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-60
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-50
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-40
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-30
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-20
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-10
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=0
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=10
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=20
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=30
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=40
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=50
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=60
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=70
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=80
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=90
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=100
2407140045133527185.eigenfacs
2407140045133527185.atom
making animated gifs
21 models are in 2407140045133527185.10.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2407140045133527185.10.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2407140045133527185.10.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 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=-100 686 28.633 399 0.790
MODEL 2 MODE=10 DQ=-90 686 28.688 399 0.781
MODEL 3 MODE=10 DQ=-80 686 28.743 398 0.775
MODEL 4 MODE=10 DQ=-70 686 28.798 398 0.750
MODEL 5 MODE=10 DQ=-60 686 28.854 398 0.755
MODEL 6 MODE=10 DQ=-50 686 28.909 399 0.758
MODEL 7 MODE=10 DQ=-40 686 28.965 399 0.752
MODEL 8 MODE=10 DQ=-30 686 29.021 399 0.746
MODEL 9 MODE=10 DQ=-20 686 29.077 399 0.742
MODEL 10 MODE=10 DQ=-10 686 29.134 398 0.719
MODEL 11 MODE=10 DQ=0 686 29.190 397 0.705
MODEL 12 MODE=10 DQ=10 686 29.247 397 0.702
MODEL 13 MODE=10 DQ=20 686 29.303 397 0.701
MODEL 14 MODE=10 DQ=30 686 29.360 397 0.700
MODEL 15 MODE=10 DQ=40 686 29.417 397 0.700
MODEL 16 MODE=10 DQ=50 686 29.474 397 0.702
MODEL 17 MODE=10 DQ=60 686 29.532 397 0.704
MODEL 18 MODE=10 DQ=70 686 29.589 396 0.691
MODEL 19 MODE=10 DQ=80 686 29.647 396 0.695
MODEL 20 MODE=10 DQ=90 686 29.705 395 0.678
MODEL 21 MODE=10 DQ=100 686 29.763 395 0.684
getting mode 11
running: ../../bin/get_modes.sh 2407140045133527185 11 -100 100 10 on on
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-90
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-80
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-70
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-60
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-50
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-40
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-30
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-20
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-10
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=0
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=10
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=20
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=30
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=40
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=50
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=60
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=70
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=80
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=90
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=100
2407140045133527185.eigenfacs
2407140045133527185.atom
making animated gifs
21 models are in 2407140045133527185.11.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2407140045133527185.11.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2407140045133527185.11.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 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=-100 686 29.137 397 0.858
MODEL 2 MODE=11 DQ=-90 686 29.141 397 0.828
MODEL 3 MODE=11 DQ=-80 686 29.146 397 0.801
MODEL 4 MODE=11 DQ=-70 686 29.150 397 0.777
MODEL 5 MODE=11 DQ=-60 686 29.155 396 0.741
MODEL 6 MODE=11 DQ=-50 686 29.160 396 0.733
MODEL 7 MODE=11 DQ=-40 686 29.165 397 0.727
MODEL 8 MODE=11 DQ=-30 686 29.171 397 0.710
MODEL 9 MODE=11 DQ=-20 686 29.177 397 0.707
MODEL 10 MODE=11 DQ=-10 686 29.183 397 0.704
MODEL 11 MODE=11 DQ=0 686 29.190 397 0.705
MODEL 12 MODE=11 DQ=10 686 29.197 398 0.717
MODEL 13 MODE=11 DQ=20 686 29.204 398 0.730
MODEL 14 MODE=11 DQ=30 686 29.212 399 0.752
MODEL 15 MODE=11 DQ=40 686 29.219 399 0.765
MODEL 16 MODE=11 DQ=50 686 29.227 399 0.785
MODEL 17 MODE=11 DQ=60 686 29.236 399 0.805
MODEL 18 MODE=11 DQ=70 686 29.245 399 0.828
MODEL 19 MODE=11 DQ=80 686 29.254 398 0.848
MODEL 20 MODE=11 DQ=90 686 29.263 397 0.857
MODEL 21 MODE=11 DQ=100 686 29.273 397 0.889
getting mode 12
running: ../../bin/get_modes.sh 2407140045133527185 12 -100 100 10 on on
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-90
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-80
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-70
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-60
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-50
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-40
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-30
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-20
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-10
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=0
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=10
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=20
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=30
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=40
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=50
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=60
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=70
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=80
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=90
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=100
2407140045133527185.eigenfacs
2407140045133527185.atom
making animated gifs
21 models are in 2407140045133527185.12.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2407140045133527185.12.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2407140045133527185.12.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 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=-100 686 29.571 400 1.103
MODEL 2 MODE=12 DQ=-90 686 29.532 400 1.044
MODEL 3 MODE=12 DQ=-80 686 29.493 399 0.978
MODEL 4 MODE=12 DQ=-70 686 29.454 399 0.926
MODEL 5 MODE=12 DQ=-60 686 29.416 399 0.878
MODEL 6 MODE=12 DQ=-50 686 29.377 398 0.823
MODEL 7 MODE=12 DQ=-40 686 29.339 398 0.785
MODEL 8 MODE=12 DQ=-30 686 29.302 398 0.755
MODEL 9 MODE=12 DQ=-20 686 29.264 398 0.733
MODEL 10 MODE=12 DQ=-10 686 29.227 398 0.722
MODEL 11 MODE=12 DQ=0 686 29.190 397 0.705
MODEL 12 MODE=12 DQ=10 686 29.153 396 0.689
MODEL 13 MODE=12 DQ=20 686 29.117 396 0.700
MODEL 14 MODE=12 DQ=30 686 29.081 396 0.720
MODEL 15 MODE=12 DQ=40 686 29.045 395 0.749
MODEL 16 MODE=12 DQ=50 686 29.009 395 0.766
MODEL 17 MODE=12 DQ=60 686 28.974 396 0.821
MODEL 18 MODE=12 DQ=70 686 28.939 393 0.828
MODEL 19 MODE=12 DQ=80 686 28.904 393 0.876
MODEL 20 MODE=12 DQ=90 686 28.869 391 0.903
MODEL 21 MODE=12 DQ=100 686 28.835 390 0.945
getting mode 13
running: ../../bin/get_modes.sh 2407140045133527185 13 -100 100 10 on on
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-90
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-80
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-70
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-60
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-50
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-40
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-30
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-20
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-10
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=0
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=10
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=20
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=30
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=40
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=50
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=60
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=70
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=80
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=90
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=100
2407140045133527185.eigenfacs
2407140045133527185.atom
making animated gifs
21 models are in 2407140045133527185.13.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2407140045133527185.13.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2407140045133527185.13.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 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=-100 686 29.171 397 0.798
MODEL 2 MODE=13 DQ=-90 686 29.172 397 0.772
MODEL 3 MODE=13 DQ=-80 686 29.173 398 0.764
MODEL 4 MODE=13 DQ=-70 686 29.174 398 0.744
MODEL 5 MODE=13 DQ=-60 686 29.175 398 0.728
MODEL 6 MODE=13 DQ=-50 686 29.177 398 0.716
MODEL 7 MODE=13 DQ=-40 686 29.179 398 0.707
MODEL 8 MODE=13 DQ=-30 686 29.181 398 0.703
MODEL 9 MODE=13 DQ=-20 686 29.184 398 0.703
MODEL 10 MODE=13 DQ=-10 686 29.187 397 0.692
MODEL 11 MODE=13 DQ=0 686 29.190 397 0.705
MODEL 12 MODE=13 DQ=10 686 29.193 397 0.715
MODEL 13 MODE=13 DQ=20 686 29.197 398 0.740
MODEL 14 MODE=13 DQ=30 686 29.201 398 0.758
MODEL 15 MODE=13 DQ=40 686 29.206 397 0.768
MODEL 16 MODE=13 DQ=50 686 29.210 397 0.792
MODEL 17 MODE=13 DQ=60 686 29.215 400 0.866
MODEL 18 MODE=13 DQ=70 686 29.220 400 0.894
MODEL 19 MODE=13 DQ=80 686 29.226 399 0.917
MODEL 20 MODE=13 DQ=90 686 29.231 399 0.950
MODEL 21 MODE=13 DQ=100 686 29.238 396 0.941
getting mode 14
running: ../../bin/get_modes.sh 2407140045133527185 14 -100 100 10 on on
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-90
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-80
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-70
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-60
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-50
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-40
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-30
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-20
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-10
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=0
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=10
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=20
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=30
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=40
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=50
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=60
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=70
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=80
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=90
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=100
2407140045133527185.eigenfacs
2407140045133527185.atom
making animated gifs
21 models are in 2407140045133527185.14.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2407140045133527185.14.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2407140045133527185.14.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 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=-100 686 29.283 395 0.970
MODEL 2 MODE=14 DQ=-90 686 29.272 395 0.924
MODEL 3 MODE=14 DQ=-80 686 29.262 396 0.892
MODEL 4 MODE=14 DQ=-70 686 29.252 396 0.851
MODEL 5 MODE=14 DQ=-60 686 29.242 397 0.827
MODEL 6 MODE=14 DQ=-50 686 29.233 398 0.807
MODEL 7 MODE=14 DQ=-40 686 29.224 397 0.768
MODEL 8 MODE=14 DQ=-30 686 29.215 397 0.745
MODEL 9 MODE=14 DQ=-20 686 29.206 397 0.726
MODEL 10 MODE=14 DQ=-10 686 29.198 397 0.706
MODEL 11 MODE=14 DQ=0 686 29.190 397 0.705
MODEL 12 MODE=14 DQ=10 686 29.182 398 0.714
MODEL 13 MODE=14 DQ=20 686 29.175 398 0.725
MODEL 14 MODE=14 DQ=30 686 29.167 399 0.752
MODEL 15 MODE=14 DQ=40 686 29.160 399 0.767
MODEL 16 MODE=14 DQ=50 686 29.153 399 0.785
MODEL 17 MODE=14 DQ=60 686 29.147 399 0.815
MODEL 18 MODE=14 DQ=70 686 29.141 398 0.839
MODEL 19 MODE=14 DQ=80 686 29.135 398 0.879
MODEL 20 MODE=14 DQ=90 686 29.129 396 0.898
MODEL 21 MODE=14 DQ=100 686 29.124 397 0.957
getting mode 15
running: ../../bin/get_modes.sh 2407140045133527185 15 -100 100 10 on on
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-90
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-80
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-70
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-60
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-50
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-40
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-30
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-20
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-10
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=0
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=10
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=20
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=30
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=40
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=50
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=60
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=70
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=80
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=90
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=100
2407140045133527185.eigenfacs
2407140045133527185.atom
making animated gifs
21 models are in 2407140045133527185.15.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2407140045133527185.15.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2407140045133527185.15.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 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=-100 686 29.386 390 0.998
MODEL 2 MODE=15 DQ=-90 686 29.365 392 0.966
MODEL 3 MODE=15 DQ=-80 686 29.345 391 0.922
MODEL 4 MODE=15 DQ=-70 686 29.324 392 0.884
MODEL 5 MODE=15 DQ=-60 686 29.304 394 0.858
MODEL 6 MODE=15 DQ=-50 686 29.285 397 0.843
MODEL 7 MODE=15 DQ=-40 686 29.265 397 0.802
MODEL 8 MODE=15 DQ=-30 686 29.246 398 0.783
MODEL 9 MODE=15 DQ=-20 686 29.227 397 0.735
MODEL 10 MODE=15 DQ=-10 686 29.208 397 0.716
MODEL 11 MODE=15 DQ=0 686 29.190 397 0.705
MODEL 12 MODE=15 DQ=10 686 29.172 397 0.695
MODEL 13 MODE=15 DQ=20 686 29.154 397 0.699
MODEL 14 MODE=15 DQ=30 686 29.137 397 0.709
MODEL 15 MODE=15 DQ=40 686 29.119 397 0.728
MODEL 16 MODE=15 DQ=50 686 29.102 397 0.754
MODEL 17 MODE=15 DQ=60 686 29.086 397 0.788
MODEL 18 MODE=15 DQ=70 686 29.069 397 0.830
MODEL 19 MODE=15 DQ=80 686 29.053 397 0.873
MODEL 20 MODE=15 DQ=90 686 29.038 395 0.892
MODEL 21 MODE=15 DQ=100 686 29.022 395 0.945
getting mode 16
running: ../../bin/get_modes.sh 2407140045133527185 16 -100 100 10 on on
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-90
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-80
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-70
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-60
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-50
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-40
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-30
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-20
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-10
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=0
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=10
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=20
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=30
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=40
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=50
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=60
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=70
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=80
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=90
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=100
2407140045133527185.eigenfacs
2407140045133527185.atom
making animated gifs
21 models are in 2407140045133527185.16.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2407140045133527185.16.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2407140045133527185.16.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 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=-100 686 29.143 399 0.863
MODEL 2 MODE=16 DQ=-90 686 29.146 400 0.844
MODEL 3 MODE=16 DQ=-80 686 29.150 400 0.817
MODEL 4 MODE=16 DQ=-70 686 29.154 399 0.778
MODEL 5 MODE=16 DQ=-60 686 29.158 399 0.758
MODEL 6 MODE=16 DQ=-50 686 29.163 398 0.769
MODEL 7 MODE=16 DQ=-40 686 29.168 399 0.761
MODEL 8 MODE=16 DQ=-30 686 29.173 400 0.758
MODEL 9 MODE=16 DQ=-20 686 29.178 400 0.748
MODEL 10 MODE=16 DQ=-10 686 29.184 398 0.710
MODEL 11 MODE=16 DQ=0 686 29.190 397 0.705
MODEL 12 MODE=16 DQ=10 686 29.196 397 0.709
MODEL 13 MODE=16 DQ=20 686 29.203 397 0.723
MODEL 14 MODE=16 DQ=30 686 29.210 396 0.727
MODEL 15 MODE=16 DQ=40 686 29.217 396 0.749
MODEL 16 MODE=16 DQ=50 686 29.224 395 0.759
MODEL 17 MODE=16 DQ=60 686 29.232 395 0.786
MODEL 18 MODE=16 DQ=70 686 29.240 395 0.817
MODEL 19 MODE=16 DQ=80 686 29.248 394 0.835
MODEL 20 MODE=16 DQ=90 686 29.256 393 0.854
MODEL 21 MODE=16 DQ=100 686 29.265 392 0.874
getting mode 17
running: ../../bin/get_modes.sh 2407140045133527185 17 -100 100 10 on on
normal mode computation
generate a series of perturbations for mode 17
calculating perturbed structure for DQ=-100
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-90
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-80
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-70
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-60
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-50
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-40
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-30
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-20
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-10
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=0
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=10
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=20
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=30
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=40
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=50
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=60
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=70
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=80
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=90
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=100
2407140045133527185.eigenfacs
2407140045133527185.atom
making animated gifs
21 models are in 2407140045133527185.17.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2407140045133527185.17.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2407140045133527185.17.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 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=-100 686 29.410 386 1.054
MODEL 2 MODE=17 DQ=-90 686 29.387 388 1.005
MODEL 3 MODE=17 DQ=-80 686 29.364 389 0.952
MODEL 4 MODE=17 DQ=-70 686 29.341 393 0.926
MODEL 5 MODE=17 DQ=-60 686 29.319 393 0.863
MODEL 6 MODE=17 DQ=-50 686 29.297 394 0.815
MODEL 7 MODE=17 DQ=-40 686 29.275 396 0.789
MODEL 8 MODE=17 DQ=-30 686 29.253 396 0.749
MODEL 9 MODE=17 DQ=-20 686 29.232 396 0.719
MODEL 10 MODE=17 DQ=-10 686 29.211 397 0.711
MODEL 11 MODE=17 DQ=0 686 29.190 397 0.705
MODEL 12 MODE=17 DQ=10 686 29.169 397 0.712
MODEL 13 MODE=17 DQ=20 686 29.149 398 0.742
MODEL 14 MODE=17 DQ=30 686 29.129 398 0.769
MODEL 15 MODE=17 DQ=40 686 29.110 398 0.810
MODEL 16 MODE=17 DQ=50 686 29.090 398 0.860
MODEL 17 MODE=17 DQ=60 686 29.071 397 0.907
MODEL 18 MODE=17 DQ=70 686 29.053 397 0.972
MODEL 19 MODE=17 DQ=80 686 29.034 395 1.018
MODEL 20 MODE=17 DQ=90 686 29.016 390 1.038
MODEL 21 MODE=17 DQ=100 686 28.998 382 1.025
getting mode 18
running: ../../bin/get_modes.sh 2407140045133527185 18 -100 100 10 on on
normal mode computation
generate a series of perturbations for mode 18
calculating perturbed structure for DQ=-100
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-90
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-80
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-70
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-60
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-50
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-40
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-30
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-20
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-10
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=0
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=10
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=20
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=30
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=40
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=50
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=60
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=70
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=80
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=90
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=100
2407140045133527185.eigenfacs
2407140045133527185.atom
making animated gifs
21 models are in 2407140045133527185.18.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2407140045133527185.18.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2407140045133527185.18.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 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=-100 686 29.087 400 0.936
MODEL 2 MODE=18 DQ=-90 686 29.096 400 0.898
MODEL 3 MODE=18 DQ=-80 686 29.105 399 0.851
MODEL 4 MODE=18 DQ=-70 686 29.115 399 0.819
MODEL 5 MODE=18 DQ=-60 686 29.125 399 0.791
MODEL 6 MODE=18 DQ=-50 686 29.135 399 0.769
MODEL 7 MODE=18 DQ=-40 686 29.145 399 0.751
MODEL 8 MODE=18 DQ=-30 686 29.156 399 0.758
MODEL 9 MODE=18 DQ=-20 686 29.167 398 0.734
MODEL 10 MODE=18 DQ=-10 686 29.178 398 0.713
MODEL 11 MODE=18 DQ=0 686 29.190 397 0.705
MODEL 12 MODE=18 DQ=10 686 29.202 396 0.692
MODEL 13 MODE=18 DQ=20 686 29.214 396 0.702
MODEL 14 MODE=18 DQ=30 686 29.227 395 0.701
MODEL 15 MODE=18 DQ=40 686 29.239 395 0.718
MODEL 16 MODE=18 DQ=50 686 29.253 394 0.720
MODEL 17 MODE=18 DQ=60 686 29.266 394 0.746
MODEL 18 MODE=18 DQ=70 686 29.280 394 0.775
MODEL 19 MODE=18 DQ=80 686 29.294 393 0.793
MODEL 20 MODE=18 DQ=90 686 29.308 393 0.827
MODEL 21 MODE=18 DQ=100 686 29.322 392 0.852
getting mode 19
running: ../../bin/get_modes.sh 2407140045133527185 19 -100 100 10 on on
normal mode computation
generate a series of perturbations for mode 19
calculating perturbed structure for DQ=-100
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-90
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-80
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-70
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-60
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-50
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-40
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-30
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-20
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-10
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=0
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=10
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=20
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=30
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=40
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=50
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=60
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=70
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=80
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=90
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=100
2407140045133527185.eigenfacs
2407140045133527185.atom
making animated gifs
21 models are in 2407140045133527185.19.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2407140045133527185.19.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2407140045133527185.19.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 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=-100 686 29.330 397 0.999
MODEL 2 MODE=19 DQ=-90 686 29.315 397 0.947
MODEL 3 MODE=19 DQ=-80 686 29.300 397 0.897
MODEL 4 MODE=19 DQ=-70 686 29.285 398 0.863
MODEL 5 MODE=19 DQ=-60 686 29.271 398 0.822
MODEL 6 MODE=19 DQ=-50 686 29.257 398 0.786
MODEL 7 MODE=19 DQ=-40 686 29.243 398 0.757
MODEL 8 MODE=19 DQ=-30 686 29.229 398 0.735
MODEL 9 MODE=19 DQ=-20 686 29.216 398 0.737
MODEL 10 MODE=19 DQ=-10 686 29.203 398 0.714
MODEL 11 MODE=19 DQ=0 686 29.190 397 0.705
MODEL 12 MODE=19 DQ=10 686 29.177 397 0.711
MODEL 13 MODE=19 DQ=20 686 29.165 398 0.739
MODEL 14 MODE=19 DQ=30 686 29.153 398 0.761
MODEL 15 MODE=19 DQ=40 686 29.141 397 0.776
MODEL 16 MODE=19 DQ=50 686 29.130 398 0.826
MODEL 17 MODE=19 DQ=60 686 29.119 397 0.861
MODEL 18 MODE=19 DQ=70 686 29.108 397 0.906
MODEL 19 MODE=19 DQ=80 686 29.097 396 0.950
MODEL 20 MODE=19 DQ=90 686 29.087 396 0.988
MODEL 21 MODE=19 DQ=100 686 29.077 394 1.022
getting mode 20
running: ../../bin/get_modes.sh 2407140045133527185 20 -100 100 10 on on
normal mode computation
generate a series of perturbations for mode 20
calculating perturbed structure for DQ=-100
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-90
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-80
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-70
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-60
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-50
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-40
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-30
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-20
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-10
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=0
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=10
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=20
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=30
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=40
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=50
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=60
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=70
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=80
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=90
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=100
2407140045133527185.eigenfacs
2407140045133527185.atom
making animated gifs
21 models are in 2407140045133527185.20.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2407140045133527185.20.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2407140045133527185.20.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 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=-100 686 29.265 401 0.919
MODEL 2 MODE=20 DQ=-90 686 29.257 401 0.869
MODEL 3 MODE=20 DQ=-80 686 29.248 400 0.813
MODEL 4 MODE=20 DQ=-70 686 29.240 400 0.775
MODEL 5 MODE=20 DQ=-60 686 29.232 400 0.744
MODEL 6 MODE=20 DQ=-50 686 29.224 400 0.725
MODEL 7 MODE=20 DQ=-40 686 29.217 400 0.716
MODEL 8 MODE=20 DQ=-30 686 29.209 400 0.714
MODEL 9 MODE=20 DQ=-20 686 29.203 400 0.718
MODEL 10 MODE=20 DQ=-10 686 29.196 398 0.705
MODEL 11 MODE=20 DQ=0 686 29.190 397 0.705
MODEL 12 MODE=20 DQ=10 686 29.184 397 0.729
MODEL 13 MODE=20 DQ=20 686 29.178 397 0.767
MODEL 14 MODE=20 DQ=30 686 29.173 396 0.798
MODEL 15 MODE=20 DQ=40 686 29.168 396 0.847
MODEL 16 MODE=20 DQ=50 686 29.163 396 0.902
MODEL 17 MODE=20 DQ=60 686 29.159 396 0.960
MODEL 18 MODE=20 DQ=70 686 29.155 392 0.978
MODEL 19 MODE=20 DQ=80 686 29.151 389 1.005
MODEL 20 MODE=20 DQ=90 686 29.147 384 1.011
MODEL 21 MODE=20 DQ=100 686 29.144 382 1.047
getting mode 21
running: ../../bin/get_modes.sh 2407140045133527185 21 -100 100 10 on on
normal mode computation
generate a series of perturbations for mode 21
calculating perturbed structure for DQ=-100
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-90
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-80
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-70
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-60
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-50
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-40
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-30
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-20
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-10
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=0
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=10
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=20
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=30
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=40
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=50
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=60
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=70
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=80
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=90
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=100
2407140045133527185.eigenfacs
2407140045133527185.atom
making animated gifs
21 models are in 2407140045133527185.21.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2407140045133527185.21.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2407140045133527185.21.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 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=-100 686 29.171 392 0.982
MODEL 2 MODE=21 DQ=-90 686 29.171 394 0.944
MODEL 3 MODE=21 DQ=-80 686 29.172 394 0.888
MODEL 4 MODE=21 DQ=-70 686 29.173 394 0.834
MODEL 5 MODE=21 DQ=-60 686 29.175 396 0.810
MODEL 6 MODE=21 DQ=-50 686 29.177 396 0.768
MODEL 7 MODE=21 DQ=-40 686 29.179 396 0.734
MODEL 8 MODE=21 DQ=-30 686 29.181 396 0.708
MODEL 9 MODE=21 DQ=-20 686 29.184 397 0.706
MODEL 10 MODE=21 DQ=-10 686 29.187 396 0.687
MODEL 11 MODE=21 DQ=0 686 29.190 397 0.705
MODEL 12 MODE=21 DQ=10 686 29.193 398 0.721
MODEL 13 MODE=21 DQ=20 686 29.197 399 0.752
MODEL 14 MODE=21 DQ=30 686 29.201 399 0.776
MODEL 15 MODE=21 DQ=40 686 29.206 399 0.811
MODEL 16 MODE=21 DQ=50 686 29.210 399 0.855
MODEL 17 MODE=21 DQ=60 686 29.215 399 0.906
MODEL 18 MODE=21 DQ=70 686 29.220 399 0.964
MODEL 19 MODE=21 DQ=80 686 29.226 398 1.016
MODEL 20 MODE=21 DQ=90 686 29.232 398 1.083
MODEL 21 MODE=21 DQ=100 686 29.238 394 1.112
getting mode 22
running: ../../bin/get_modes.sh 2407140045133527185 22 -100 100 10 on on
normal mode computation
generate a series of perturbations for mode 22
calculating perturbed structure for DQ=-100
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-90
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-80
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-70
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-60
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-50
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-40
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-30
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-20
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-10
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=0
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=10
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=20
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=30
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=40
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=50
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=60
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=70
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=80
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=90
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=100
2407140045133527185.eigenfacs
2407140045133527185.atom
making animated gifs
21 models are in 2407140045133527185.22.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2407140045133527185.22.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2407140045133527185.22.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 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=-100 686 29.174 400 0.945
MODEL 2 MODE=22 DQ=-90 686 29.174 400 0.907
MODEL 3 MODE=22 DQ=-80 686 29.175 400 0.889
MODEL 4 MODE=22 DQ=-70 686 29.176 401 0.865
MODEL 5 MODE=22 DQ=-60 686 29.177 401 0.838
MODEL 6 MODE=22 DQ=-50 686 29.178 401 0.806
MODEL 7 MODE=22 DQ=-40 686 29.180 400 0.773
MODEL 8 MODE=22 DQ=-30 686 29.182 400 0.760
MODEL 9 MODE=22 DQ=-20 686 29.185 400 0.752
MODEL 10 MODE=22 DQ=-10 686 29.187 398 0.724
MODEL 11 MODE=22 DQ=0 686 29.190 397 0.705
MODEL 12 MODE=22 DQ=10 686 29.193 397 0.705
MODEL 13 MODE=22 DQ=20 686 29.196 397 0.716
MODEL 14 MODE=22 DQ=30 686 29.200 396 0.718
MODEL 15 MODE=22 DQ=40 686 29.204 396 0.741
MODEL 16 MODE=22 DQ=50 686 29.208 395 0.759
MODEL 17 MODE=22 DQ=60 686 29.213 395 0.784
MODEL 18 MODE=22 DQ=70 686 29.218 392 0.787
MODEL 19 MODE=22 DQ=80 686 29.223 392 0.814
MODEL 20 MODE=22 DQ=90 686 29.228 392 0.853
MODEL 21 MODE=22 DQ=100 686 29.234 392 0.895
getting mode 23
running: ../../bin/get_modes.sh 2407140045133527185 23 -100 100 10 on on
normal mode computation
generate a series of perturbations for mode 23
calculating perturbed structure for DQ=-100
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-90
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-80
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-70
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-60
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-50
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-40
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-30
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-20
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-10
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=0
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=10
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=20
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=30
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=40
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=50
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=60
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=70
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=80
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=90
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=100
2407140045133527185.eigenfacs
2407140045133527185.atom
making animated gifs
21 models are in 2407140045133527185.23.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2407140045133527185.23.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2407140045133527185.23.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 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=-100 686 29.188 400 0.978
MODEL 2 MODE=23 DQ=-90 686 29.186 400 0.941
MODEL 3 MODE=23 DQ=-80 686 29.186 400 0.907
MODEL 4 MODE=23 DQ=-70 686 29.185 399 0.863
MODEL 5 MODE=23 DQ=-60 686 29.185 398 0.819
MODEL 6 MODE=23 DQ=-50 686 29.185 398 0.790
MODEL 7 MODE=23 DQ=-40 686 29.186 398 0.766
MODEL 8 MODE=23 DQ=-30 686 29.186 398 0.746
MODEL 9 MODE=23 DQ=-20 686 29.187 398 0.731
MODEL 10 MODE=23 DQ=-10 686 29.188 397 0.705
MODEL 11 MODE=23 DQ=0 686 29.190 397 0.705
MODEL 12 MODE=23 DQ=10 686 29.192 398 0.714
MODEL 13 MODE=23 DQ=20 686 29.194 397 0.705
MODEL 14 MODE=23 DQ=30 686 29.196 398 0.725
MODEL 15 MODE=23 DQ=40 686 29.199 397 0.717
MODEL 16 MODE=23 DQ=50 686 29.202 398 0.752
MODEL 17 MODE=23 DQ=60 686 29.205 398 0.773
MODEL 18 MODE=23 DQ=70 686 29.208 398 0.799
MODEL 19 MODE=23 DQ=80 686 29.212 398 0.828
MODEL 20 MODE=23 DQ=90 686 29.216 398 0.861
MODEL 21 MODE=23 DQ=100 686 29.220 398 0.897
getting mode 24
running: ../../bin/get_modes.sh 2407140045133527185 24 -100 100 10 on on
normal mode computation
generate a series of perturbations for mode 24
calculating perturbed structure for DQ=-100
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-90
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-80
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-70
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-60
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-50
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-40
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-30
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-20
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-10
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=0
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=10
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=20
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=30
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=40
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=50
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=60
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=70
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=80
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=90
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=100
2407140045133527185.eigenfacs
2407140045133527185.atom
making animated gifs
21 models are in 2407140045133527185.24.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2407140045133527185.24.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2407140045133527185.24.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 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=-100 686 29.184 389 1.155
MODEL 2 MODE=24 DQ=-90 686 29.184 392 1.098
MODEL 3 MODE=24 DQ=-80 686 29.183 394 1.043
MODEL 4 MODE=24 DQ=-70 686 29.183 397 1.001
MODEL 5 MODE=24 DQ=-60 686 29.183 398 0.940
MODEL 6 MODE=24 DQ=-50 686 29.183 398 0.875
MODEL 7 MODE=24 DQ=-40 686 29.184 398 0.819
MODEL 8 MODE=24 DQ=-30 686 29.185 398 0.787
MODEL 9 MODE=24 DQ=-20 686 29.186 398 0.752
MODEL 10 MODE=24 DQ=-10 686 29.188 398 0.721
MODEL 11 MODE=24 DQ=0 686 29.190 397 0.705
MODEL 12 MODE=24 DQ=10 686 29.192 397 0.707
MODEL 13 MODE=24 DQ=20 686 29.195 397 0.729
MODEL 14 MODE=24 DQ=30 686 29.197 397 0.765
MODEL 15 MODE=24 DQ=40 686 29.200 395 0.789
MODEL 16 MODE=24 DQ=50 686 29.204 394 0.829
MODEL 17 MODE=24 DQ=60 686 29.207 393 0.877
MODEL 18 MODE=24 DQ=70 686 29.211 393 0.941
MODEL 19 MODE=24 DQ=80 686 29.215 389 0.962
MODEL 20 MODE=24 DQ=90 686 29.220 389 1.029
MODEL 21 MODE=24 DQ=100 686 29.225 387 1.076
getting mode 25
running: ../../bin/get_modes.sh 2407140045133527185 25 -100 100 10 on on
normal mode computation
generate a series of perturbations for mode 25
calculating perturbed structure for DQ=-100
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-90
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-80
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-70
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-60
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-50
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-40
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-30
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-20
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-10
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=0
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=10
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=20
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=30
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=40
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=50
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=60
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=70
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=80
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=90
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=100
2407140045133527185.eigenfacs
2407140045133527185.atom
making animated gifs
21 models are in 2407140045133527185.25.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2407140045133527185.25.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2407140045133527185.25.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 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=-100 686 29.241 389 1.025
MODEL 2 MODE=25 DQ=-90 686 29.235 391 0.985
MODEL 3 MODE=25 DQ=-80 686 29.229 394 0.957
MODEL 4 MODE=25 DQ=-70 686 29.223 397 0.931
MODEL 5 MODE=25 DQ=-60 686 29.217 397 0.870
MODEL 6 MODE=25 DQ=-50 686 29.212 397 0.816
MODEL 7 MODE=25 DQ=-40 686 29.207 397 0.770
MODEL 8 MODE=25 DQ=-30 686 29.202 397 0.735
MODEL 9 MODE=25 DQ=-20 686 29.198 398 0.725
MODEL 10 MODE=25 DQ=-10 686 29.194 398 0.717
MODEL 11 MODE=25 DQ=0 686 29.190 397 0.705
MODEL 12 MODE=25 DQ=10 686 29.186 398 0.736
MODEL 13 MODE=25 DQ=20 686 29.183 397 0.749
MODEL 14 MODE=25 DQ=30 686 29.180 398 0.788
MODEL 15 MODE=25 DQ=40 686 29.178 398 0.833
MODEL 16 MODE=25 DQ=50 686 29.176 397 0.875
MODEL 17 MODE=25 DQ=60 686 29.174 395 0.911
MODEL 18 MODE=25 DQ=70 686 29.172 394 0.965
MODEL 19 MODE=25 DQ=80 686 29.170 393 1.022
MODEL 20 MODE=25 DQ=90 686 29.169 388 1.041
MODEL 21 MODE=25 DQ=100 686 29.169 388 1.108
getting mode 26
running: ../../bin/get_modes.sh 2407140045133527185 26 -100 100 10 on on
normal mode computation
generate a series of perturbations for mode 26
calculating perturbed structure for DQ=-100
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-90
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-80
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-70
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-60
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-50
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-40
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-30
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-20
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-10
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=0
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=10
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=20
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=30
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=40
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=50
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=60
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=70
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=80
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=90
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=100
2407140045133527185.eigenfacs
2407140045133527185.atom
making animated gifs
21 models are in 2407140045133527185.26.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2407140045133527185.26.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2407140045133527185.26.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 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=-100 686 29.149 397 0.858
MODEL 2 MODE=26 DQ=-90 686 29.152 397 0.825
MODEL 3 MODE=26 DQ=-80 686 29.155 398 0.808
MODEL 4 MODE=26 DQ=-70 686 29.158 398 0.782
MODEL 5 MODE=26 DQ=-60 686 29.162 397 0.758
MODEL 6 MODE=26 DQ=-50 686 29.166 397 0.740
MODEL 7 MODE=26 DQ=-40 686 29.170 398 0.733
MODEL 8 MODE=26 DQ=-30 686 29.175 398 0.724
MODEL 9 MODE=26 DQ=-20 686 29.179 398 0.719
MODEL 10 MODE=26 DQ=-10 686 29.185 397 0.699
MODEL 11 MODE=26 DQ=0 686 29.190 397 0.705
MODEL 12 MODE=26 DQ=10 686 29.196 398 0.726
MODEL 13 MODE=26 DQ=20 686 29.202 398 0.740
MODEL 14 MODE=26 DQ=30 686 29.208 398 0.757
MODEL 15 MODE=26 DQ=40 686 29.214 398 0.779
MODEL 16 MODE=26 DQ=50 686 29.221 398 0.806
MODEL 17 MODE=26 DQ=60 686 29.228 397 0.823
MODEL 18 MODE=26 DQ=70 686 29.236 397 0.857
MODEL 19 MODE=26 DQ=80 686 29.244 397 0.893
MODEL 20 MODE=26 DQ=90 686 29.252 395 0.902
MODEL 21 MODE=26 DQ=100 686 29.260 394 0.925
getting mode 27
running: ../../bin/get_modes.sh 2407140045133527185 27 -100 100 10 on on
normal mode computation
generate a series of perturbations for mode 27
calculating perturbed structure for DQ=-100
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-90
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-80
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-70
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-60
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-50
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-40
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-30
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-20
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-10
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=0
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=10
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=20
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=30
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=40
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=50
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=60
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=70
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=80
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=90
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=100
2407140045133527185.eigenfacs
2407140045133527185.atom
making animated gifs
21 models are in 2407140045133527185.27.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2407140045133527185.27.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2407140045133527185.27.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 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=-100 686 29.178 383 1.016
MODEL 2 MODE=27 DQ=-90 686 29.178 387 1.006
MODEL 3 MODE=27 DQ=-80 686 29.178 390 0.980
MODEL 4 MODE=27 DQ=-70 686 29.179 393 0.956
MODEL 5 MODE=27 DQ=-60 686 29.180 394 0.911
MODEL 6 MODE=27 DQ=-50 686 29.181 395 0.886
MODEL 7 MODE=27 DQ=-40 686 29.182 396 0.828
MODEL 8 MODE=27 DQ=-30 686 29.184 397 0.806
MODEL 9 MODE=27 DQ=-20 686 29.186 398 0.772
MODEL 10 MODE=27 DQ=-10 686 29.188 398 0.742
MODEL 11 MODE=27 DQ=0 686 29.190 397 0.705
MODEL 12 MODE=27 DQ=10 686 29.192 397 0.701
MODEL 13 MODE=27 DQ=20 686 29.195 398 0.723
MODEL 14 MODE=27 DQ=30 686 29.198 398 0.747
MODEL 15 MODE=27 DQ=40 686 29.201 397 0.770
MODEL 16 MODE=27 DQ=50 686 29.204 396 0.791
MODEL 17 MODE=27 DQ=60 686 29.208 396 0.838
MODEL 18 MODE=27 DQ=70 686 29.212 396 0.883
MODEL 19 MODE=27 DQ=80 686 29.216 393 0.900
MODEL 20 MODE=27 DQ=90 686 29.220 392 0.940
MODEL 21 MODE=27 DQ=100 686 29.225 390 0.971
getting mode 28
running: ../../bin/get_modes.sh 2407140045133527185 28 -100 100 10 on on
normal mode computation
generate a series of perturbations for mode 28
calculating perturbed structure for DQ=-100
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-90
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-80
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-70
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-60
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-50
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-40
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-30
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-20
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-10
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=0
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=10
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=20
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=30
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=40
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=50
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=60
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=70
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=80
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=90
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=100
2407140045133527185.eigenfacs
2407140045133527185.atom
making animated gifs
21 models are in 2407140045133527185.28.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2407140045133527185.28.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2407140045133527185.28.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 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=-100 686 29.289 394 1.034
MODEL 2 MODE=28 DQ=-90 686 29.277 395 0.982
MODEL 3 MODE=28 DQ=-80 686 29.267 395 0.923
MODEL 4 MODE=28 DQ=-70 686 29.256 395 0.868
MODEL 5 MODE=28 DQ=-60 686 29.246 395 0.842
MODEL 6 MODE=28 DQ=-50 686 29.236 396 0.803
MODEL 7 MODE=28 DQ=-40 686 29.226 396 0.768
MODEL 8 MODE=28 DQ=-30 686 29.217 397 0.748
MODEL 9 MODE=28 DQ=-20 686 29.207 398 0.739
MODEL 10 MODE=28 DQ=-10 686 29.199 398 0.728
MODEL 11 MODE=28 DQ=0 686 29.190 397 0.705
MODEL 12 MODE=28 DQ=10 686 29.182 399 0.736
MODEL 13 MODE=28 DQ=20 686 29.174 399 0.750
MODEL 14 MODE=28 DQ=30 686 29.166 399 0.773
MODEL 15 MODE=28 DQ=40 686 29.158 398 0.796
MODEL 16 MODE=28 DQ=50 686 29.151 398 0.832
MODEL 17 MODE=28 DQ=60 686 29.144 398 0.878
MODEL 18 MODE=28 DQ=70 686 29.138 398 0.928
MODEL 19 MODE=28 DQ=80 686 29.131 396 0.960
MODEL 20 MODE=28 DQ=90 686 29.125 396 1.017
MODEL 21 MODE=28 DQ=100 686 29.119 394 1.058
getting mode 29
running: ../../bin/get_modes.sh 2407140045133527185 29 -100 100 10 on on
normal mode computation
generate a series of perturbations for mode 29
calculating perturbed structure for DQ=-100
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-90
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-80
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-70
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-60
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-50
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-40
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-30
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-20
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-10
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=0
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=10
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=20
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=30
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=40
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=50
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=60
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=70
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=80
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=90
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=100
2407140045133527185.eigenfacs
2407140045133527185.atom
making animated gifs
21 models are in 2407140045133527185.29.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2407140045133527185.29.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2407140045133527185.29.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 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=-100 686 29.226 396 0.944
MODEL 2 MODE=29 DQ=-90 686 29.221 396 0.890
MODEL 3 MODE=29 DQ=-80 686 29.216 396 0.840
MODEL 4 MODE=29 DQ=-70 686 29.212 395 0.790
MODEL 5 MODE=29 DQ=-60 686 29.208 395 0.748
MODEL 6 MODE=29 DQ=-50 686 29.204 396 0.722
MODEL 7 MODE=29 DQ=-40 686 29.201 396 0.696
MODEL 8 MODE=29 DQ=-30 686 29.198 397 0.695
MODEL 9 MODE=29 DQ=-20 686 29.195 397 0.687
MODEL 10 MODE=29 DQ=-10 686 29.192 397 0.693
MODEL 11 MODE=29 DQ=0 686 29.190 397 0.705
MODEL 12 MODE=29 DQ=10 686 29.188 397 0.725
MODEL 13 MODE=29 DQ=20 686 29.186 398 0.760
MODEL 14 MODE=29 DQ=30 686 29.185 398 0.794
MODEL 15 MODE=29 DQ=40 686 29.184 398 0.834
MODEL 16 MODE=29 DQ=50 686 29.183 398 0.880
MODEL 17 MODE=29 DQ=60 686 29.182 398 0.931
MODEL 18 MODE=29 DQ=70 686 29.182 397 0.975
MODEL 19 MODE=29 DQ=80 686 29.182 394 1.000
MODEL 20 MODE=29 DQ=90 686 29.182 391 1.026
MODEL 21 MODE=29 DQ=100 686 29.183 390 1.074
getting mode 30
running: ../../bin/get_modes.sh 2407140045133527185 30 -100 100 10 on on
normal mode computation
generate a series of perturbations for mode 30
calculating perturbed structure for DQ=-100
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-90
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-80
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-70
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-60
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-50
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-40
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-30
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-20
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-10
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=0
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=10
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=20
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=30
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=40
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=50
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=60
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=70
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=80
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=90
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=100
2407140045133527185.eigenfacs
2407140045133527185.atom
making animated gifs
21 models are in 2407140045133527185.30.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2407140045133527185.30.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2407140045133527185.30.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 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=-100 686 29.106 390 0.944
MODEL 2 MODE=30 DQ=-90 686 29.113 392 0.917
MODEL 3 MODE=30 DQ=-80 686 29.121 395 0.890
MODEL 4 MODE=30 DQ=-70 686 29.128 396 0.847
MODEL 5 MODE=30 DQ=-60 686 29.136 396 0.801
MODEL 6 MODE=30 DQ=-50 686 29.144 397 0.770
MODEL 7 MODE=30 DQ=-40 686 29.153 397 0.736
MODEL 8 MODE=30 DQ=-30 686 29.162 397 0.711
MODEL 9 MODE=30 DQ=-20 686 29.171 397 0.696
MODEL 10 MODE=30 DQ=-10 686 29.180 397 0.692
MODEL 11 MODE=30 DQ=0 686 29.190 397 0.705
MODEL 12 MODE=30 DQ=10 686 29.200 398 0.742
MODEL 13 MODE=30 DQ=20 686 29.210 397 0.759
MODEL 14 MODE=30 DQ=30 686 29.221 397 0.780
MODEL 15 MODE=30 DQ=40 686 29.232 397 0.822
MODEL 16 MODE=30 DQ=50 686 29.243 397 0.872
MODEL 17 MODE=30 DQ=60 686 29.254 399 0.949
MODEL 18 MODE=30 DQ=70 686 29.266 397 0.980
MODEL 19 MODE=30 DQ=80 686 29.278 397 1.034
MODEL 20 MODE=30 DQ=90 686 29.290 395 1.066
MODEL 21 MODE=30 DQ=100 686 29.303 391 1.071
getting mode 31
running: ../../bin/get_modes.sh 2407140045133527185 31 -100 100 10 on on
normal mode computation
generate a series of perturbations for mode 31
calculating perturbed structure for DQ=-100
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-90
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-80
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-70
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-60
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-50
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-40
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-30
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-20
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=-10
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=0
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=10
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=20
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=30
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=40
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=50
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=60
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=70
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=80
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=90
2407140045133527185.eigenfacs
2407140045133527185.atom
calculating perturbed structure for DQ=100
2407140045133527185.eigenfacs
2407140045133527185.atom
making animated gifs
21 models are in 2407140045133527185.31.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2407140045133527185.31.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2407140045133527185.31.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 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=-100 686 29.300 397 0.994
MODEL 2 MODE=31 DQ=-90 686 29.288 397 0.948
MODEL 3 MODE=31 DQ=-80 686 29.276 397 0.909
MODEL 4 MODE=31 DQ=-70 686 29.264 397 0.869
MODEL 5 MODE=31 DQ=-60 686 29.252 397 0.831
MODEL 6 MODE=31 DQ=-50 686 29.241 397 0.793
MODEL 7 MODE=31 DQ=-40 686 29.230 397 0.765
MODEL 8 MODE=31 DQ=-30 686 29.220 398 0.754
MODEL 9 MODE=31 DQ=-20 686 29.210 397 0.723
MODEL 10 MODE=31 DQ=-10 686 29.200 397 0.711
MODEL 11 MODE=31 DQ=0 686 29.190 397 0.705
MODEL 12 MODE=31 DQ=10 686 29.180 397 0.705
MODEL 13 MODE=31 DQ=20 686 29.171 397 0.712
MODEL 14 MODE=31 DQ=30 686 29.163 398 0.744
MODEL 15 MODE=31 DQ=40 686 29.154 398 0.752
MODEL 16 MODE=31 DQ=50 686 29.146 396 0.762
MODEL 17 MODE=31 DQ=60 686 29.138 396 0.790
MODEL 18 MODE=31 DQ=70 686 29.130 396 0.792
MODEL 19 MODE=31 DQ=80 686 29.123 395 0.856
MODEL 20 MODE=31 DQ=90 686 29.115 396 0.866
MODEL 21 MODE=31 DQ=100 686 29.109 395 0.896
2407140045133527185.10.pdb
2407140045133527185.11.pdb
2407140045133527185.12.pdb
2407140045133527185.13.pdb
2407140045133527185.14.pdb
2407140045133527185.15.pdb
2407140045133527185.16.pdb
2407140045133527185.17.pdb
2407140045133527185.18.pdb
2407140045133527185.19.pdb
2407140045133527185.20.pdb
2407140045133527185.21.pdb
2407140045133527185.22.pdb
2407140045133527185.23.pdb
2407140045133527185.24.pdb
2407140045133527185.25.pdb
2407140045133527185.26.pdb
2407140045133527185.27.pdb
2407140045133527185.28.pdb
2407140045133527185.29.pdb
2407140045133527185.30.pdb
2407140045133527185.31.pdb
2407140045133527185.7.pdb
2407140045133527185.8.pdb
2407140045133527185.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m57.972s
user 0m57.669s
sys 0m0.280s
rm: cannot remove '2407140045133527185.sdijf': No such file or directory
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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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