*** calmodulin-4 ***
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 = 240624134016553992.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 240624134016553992.atom to be opened.
Openam> File opened: 240624134016553992.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 = 143
First residue number = 5
Last residue number = 147
Number of atoms found = 1126
Mean number per residue = 7.9
Pdbmat> Coordinate statistics:
= -1.629038 +/- 11.428422 From: -26.589000 To: 18.650000
= 31.677668 +/- 16.085901 From: -3.166000 To: 58.745000
= 19.838368 +/- 9.453063 From: -2.331000 To: 39.319000
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 6.3647 % Filled.
Pdbmat> 363240 non-zero elements.
Pdbmat> 39616 atom-atom interactions.
Pdbmat> Number per atom= 70.37 +/- 20.52
Maximum number = 118
Minimum number = 13
Pdbmat> Matrix trace = 792320.
Pdbmat> Larger element = 461.735
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
143 non-zero elements, NRBL set to 1
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 = 240624134016553992.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 1
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 240624134016553992.atom to be opened.
Openam> file on opening on unit 11:
240624134016553992.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 1126 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 1 residue(s) per block.
Blocpdb> 143 residues.
Blocpdb> 7 atoms in block 1
Block first atom: 1
Blocpdb> 9 atoms in block 2
Block first atom: 8
Blocpdb> 9 atoms in block 3
Block first atom: 17
Blocpdb> 9 atoms in block 4
Block first atom: 26
Blocpdb> 8 atoms in block 5
Block first atom: 35
Blocpdb> 5 atoms in block 6
Block first atom: 43
Blocpdb> 9 atoms in block 7
Block first atom: 48
Blocpdb> 11 atoms in block 8
Block first atom: 57
Blocpdb> 9 atoms in block 9
Block first atom: 68
Blocpdb> 9 atoms in block 10
Block first atom: 77
Blocpdb> 5 atoms in block 11
Block first atom: 86
Blocpdb> 11 atoms in block 12
Block first atom: 91
Blocpdb> 6 atoms in block 13
Block first atom: 102
Blocpdb> 8 atoms in block 14
Block first atom: 108
Blocpdb> 11 atoms in block 15
Block first atom: 116
Blocpdb> 8 atoms in block 16
Block first atom: 127
Blocpdb> 9 atoms in block 17
Block first atom: 135
Blocpdb> 8 atoms in block 18
Block first atom: 144
Blocpdb> 4 atoms in block 19
Block first atom: 152
Blocpdb> 8 atoms in block 20
Block first atom: 156
Blocpdb> 4 atoms in block 21
Block first atom: 164
Blocpdb> 7 atoms in block 22
Block first atom: 168
Blocpdb> 8 atoms in block 23
Block first atom: 175
Blocpdb> 7 atoms in block 24
Block first atom: 183
Blocpdb> 7 atoms in block 25
Block first atom: 190
Blocpdb> 9 atoms in block 26
Block first atom: 197
Blocpdb> 9 atoms in block 27
Block first atom: 206
Blocpdb> 8 atoms in block 28
Block first atom: 215
Blocpdb> 4 atoms in block 29
Block first atom: 223
Blocpdb> 7 atoms in block 30
Block first atom: 227
Blocpdb> 7 atoms in block 31
Block first atom: 234
Blocpdb> 8 atoms in block 32
Block first atom: 241
Blocpdb> 11 atoms in block 33
Block first atom: 249
Blocpdb> 6 atoms in block 34
Block first atom: 260
Blocpdb> 8 atoms in block 35
Block first atom: 266
Blocpdb> 4 atoms in block 36
Block first atom: 274
Blocpdb> 9 atoms in block 37
Block first atom: 278
Blocpdb> 8 atoms in block 38
Block first atom: 287
Blocpdb> 7 atoms in block 39
Block first atom: 295
Blocpdb> 7 atoms in block 40
Block first atom: 302
Blocpdb> 9 atoms in block 41
Block first atom: 309
Blocpdb> 5 atoms in block 42
Block first atom: 318
Blocpdb> 9 atoms in block 43
Block first atom: 323
Blocpdb> 8 atoms in block 44
Block first atom: 332
Blocpdb> 9 atoms in block 45
Block first atom: 340
Blocpdb> 8 atoms in block 46
Block first atom: 349
Blocpdb> 8 atoms in block 47
Block first atom: 357
Blocpdb> 8 atoms in block 48
Block first atom: 365
Blocpdb> 8 atoms in block 49
Block first atom: 373
Blocpdb> 9 atoms in block 50
Block first atom: 381
Blocpdb> 7 atoms in block 51
Block first atom: 390
Blocpdb> 8 atoms in block 52
Block first atom: 397
Blocpdb> 5 atoms in block 53
Block first atom: 405
Blocpdb> 8 atoms in block 54
Block first atom: 410
Blocpdb> 4 atoms in block 55
Block first atom: 418
Blocpdb> 8 atoms in block 56
Block first atom: 422
Blocpdb> 4 atoms in block 57
Block first atom: 430
Blocpdb> 7 atoms in block 58
Block first atom: 434
Blocpdb> 8 atoms in block 59
Block first atom: 441
Blocpdb> 8 atoms in block 60
Block first atom: 449
Blocpdb> 11 atoms in block 61
Block first atom: 457
Blocpdb> 7 atoms in block 62
Block first atom: 468
Blocpdb> 9 atoms in block 63
Block first atom: 475
Blocpdb> 11 atoms in block 64
Block first atom: 484
Blocpdb> 8 atoms in block 65
Block first atom: 495
Blocpdb> 7 atoms in block 66
Block first atom: 503
Blocpdb> 8 atoms in block 67
Block first atom: 510
Blocpdb> 8 atoms in block 68
Block first atom: 518
Blocpdb> 5 atoms in block 69
Block first atom: 526
Blocpdb> 11 atoms in block 70
Block first atom: 531
Blocpdb> 9 atoms in block 71
Block first atom: 542
Blocpdb> 8 atoms in block 72
Block first atom: 551
Blocpdb> 9 atoms in block 73
Block first atom: 559
Blocpdb> 8 atoms in block 74
Block first atom: 568
Blocpdb> 7 atoms in block 75
Block first atom: 576
Blocpdb> 8 atoms in block 76
Block first atom: 583
Blocpdb> 6 atoms in block 77
Block first atom: 591
Blocpdb> 9 atoms in block 78
Block first atom: 597
Blocpdb> 9 atoms in block 79
Block first atom: 606
Blocpdb> 9 atoms in block 80
Block first atom: 615
Blocpdb> 8 atoms in block 81
Block first atom: 624
Blocpdb> 11 atoms in block 82
Block first atom: 632
Blocpdb> 9 atoms in block 83
Block first atom: 643
Blocpdb> 5 atoms in block 84
Block first atom: 652
Blocpdb> 11 atoms in block 85
Block first atom: 657
Blocpdb> 11 atoms in block 86
Block first atom: 668
Blocpdb> 7 atoms in block 87
Block first atom: 679
Blocpdb> 11 atoms in block 88
Block first atom: 686
Blocpdb> 8 atoms in block 89
Block first atom: 697
Blocpdb> 9 atoms in block 90
Block first atom: 705
Blocpdb> 8 atoms in block 91
Block first atom: 714
Blocpdb> 4 atoms in block 92
Block first atom: 722
Blocpdb> 8 atoms in block 93
Block first atom: 726
Blocpdb> 4 atoms in block 94
Block first atom: 734
Blocpdb> 12 atoms in block 95
Block first atom: 738
Blocpdb> 8 atoms in block 96
Block first atom: 750
Blocpdb> 6 atoms in block 97
Block first atom: 758
Blocpdb> 5 atoms in block 98
Block first atom: 764
Blocpdb> 5 atoms in block 99
Block first atom: 769
Blocpdb> 9 atoms in block 100
Block first atom: 774
Blocpdb> 8 atoms in block 101
Block first atom: 783
Blocpdb> 11 atoms in block 102
Block first atom: 791
Blocpdb> 10 atoms in block 103
Block first atom: 802
Blocpdb> 7 atoms in block 104
Block first atom: 812
Blocpdb> 8 atoms in block 105
Block first atom: 819
Blocpdb> 7 atoms in block 106
Block first atom: 827
Blocpdb> 8 atoms in block 107
Block first atom: 834
Blocpdb> 8 atoms in block 108
Block first atom: 842
Blocpdb> 4 atoms in block 109
Block first atom: 850
Blocpdb> 9 atoms in block 110
Block first atom: 854
Blocpdb> 9 atoms in block 111
Block first atom: 863
Blocpdb> 8 atoms in block 112
Block first atom: 872
Blocpdb> 7 atoms in block 113
Block first atom: 880
Blocpdb> 8 atoms in block 114
Block first atom: 887
Blocpdb> 9 atoms in block 115
Block first atom: 895
Blocpdb> 9 atoms in block 116
Block first atom: 904
Blocpdb> 7 atoms in block 117
Block first atom: 913
Blocpdb> 8 atoms in block 118
Block first atom: 920
Blocpdb> 9 atoms in block 119
Block first atom: 928
Blocpdb> 8 atoms in block 120
Block first atom: 937
Blocpdb> 8 atoms in block 121
Block first atom: 945
Blocpdb> 11 atoms in block 122
Block first atom: 953
Blocpdb> 9 atoms in block 123
Block first atom: 964
Blocpdb> 5 atoms in block 124
Block first atom: 973
Blocpdb> 8 atoms in block 125
Block first atom: 978
Blocpdb> 8 atoms in block 126
Block first atom: 986
Blocpdb> 8 atoms in block 127
Block first atom: 994
Blocpdb> 4 atoms in block 128
Block first atom: 1002
Blocpdb> 8 atoms in block 129
Block first atom: 1006
Blocpdb> 4 atoms in block 130
Block first atom: 1014
Blocpdb> 9 atoms in block 131
Block first atom: 1018
Blocpdb> 7 atoms in block 132
Block first atom: 1027
Blocpdb> 8 atoms in block 133
Block first atom: 1034
Blocpdb> 12 atoms in block 134
Block first atom: 1042
Blocpdb> 9 atoms in block 135
Block first atom: 1054
Blocpdb> 9 atoms in block 136
Block first atom: 1063
Blocpdb> 11 atoms in block 137
Block first atom: 1072
Blocpdb> 7 atoms in block 138
Block first atom: 1083
Blocpdb> 9 atoms in block 139
Block first atom: 1090
Blocpdb> 8 atoms in block 140
Block first atom: 1099
Blocpdb> 8 atoms in block 141
Block first atom: 1107
Blocpdb> 7 atoms in block 142
Block first atom: 1115
Blocpdb> 5 atoms in block 143
Block first atom: 1121
Blocpdb> 143 blocks.
Blocpdb> At most, 12 atoms in each of them.
Blocpdb> At least, 4 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> 363383 matrix lines read.
Prepmat> Matrix order = 3378
Prepmat> Matrix trace = 792320.0000
Prepmat> Last element read: 3378 3378 121.3034
Prepmat> 10297 lines saved.
Prepmat> 8842 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: 1126
RTB> Total mass = 1126.0000
RTB> Number of atoms found in matrix: 1126
RTB> Number of blocks = 143
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 178196.5455
RTB> 50199 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 = 858
Diagstd> Nb of non-zero elements: 50199
Diagstd> Projected matrix trace = 178196.5455
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 858 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 178196.5455
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 0.0460559 0.0696361 0.1203409 0.5132538
0.9302821 1.8663848 2.6213008 4.2633932 5.0597506
5.5141688 5.8307000 7.4908482 8.3745982 8.9812115
9.6438719 11.3842053 13.3126809 15.6246530 16.4567260
17.3551279 18.1860019 19.4325398 20.1058985 20.6591777
21.6524606 22.4565861 22.4972150 23.9982936 24.8471175
25.1742093 25.2081059 26.5734990 26.9090114 27.2112785
29.3945659 30.1978351 31.3087756 31.9623515 32.2686265
33.6758824 34.5727930 35.0496455 35.5725597 36.7882166
37.5900923 38.2252227 38.8505359 40.0245985 41.6457595
42.1375327 43.0027022 43.5852882 43.8803369 44.3644614
45.8097628 46.0380881 47.6083356 48.1750924 49.3520435
50.1033099 50.3306450 52.7616372 53.3719703 54.1385688
54.4273477 55.3875105 56.2936784 57.8127982 58.0241545
59.1519662 60.4079431 60.9948549 61.7512118 62.6150721
63.2382135 64.6876375 64.9772629 65.4870862 67.9254067
68.2496808 68.8878929 69.2955501 69.6215058 70.9694812
71.4183816 72.2428166 73.3584566 73.6873722 74.7908189
75.0110174 75.7171488 76.4505649 76.6626939 77.3173295
77.6536112 78.8694376 79.3342702 80.0231036 81.0150984
81.3029733
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034323 0.0034331 0.0034335 0.0034335 0.0034337
0.0034356 23.3044033 28.6557879 37.6705451 77.7967367
104.7375992 148.3528439 175.8141036 224.2192897 244.2642077
254.9971384 262.2138511 297.2081941 314.2514345 325.4338631
337.2259582 366.3925553 396.2123801 429.2402814 440.5213885
452.3860347 463.0883935 478.6962912 486.9193377 493.5734560
505.2995469 514.5968785 515.0621776 531.9679418 541.2940918
544.8452880 545.2119772 559.7829309 563.3057076 566.4606599
588.7471338 596.7373003 607.6147700 613.9240429 616.8584530
630.1657169 638.5023696 642.8906286 647.6685944 658.6423438
665.7818878 671.3829258 676.8521099 687.0032192 700.7783463
704.9037674 712.1035542 716.9109956 719.3334518 723.2907097
734.9779361 736.8072999 749.2673003 753.7139584 762.8652815
768.6497474 770.3915815 788.7773151 793.3263843 799.0034702
801.1316062 808.1671675 814.7513599 825.6714645 827.1793626
835.1795907 843.9997236 848.0898810 853.3319813 859.2800383
863.5452041 873.3853955 875.3384124 878.7657336 894.9760306
897.1097826 901.2945206 903.9573779 906.0809223 914.8104049
917.6990506 922.9806904 930.0801447 932.1629020 939.1163993
940.4978529 944.9142666 949.4795817 950.7959394 954.8468133
956.9210513 964.3832360 967.2209521 971.4109080 977.4133404
979.1483454
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 1126
Rtb_to_modes> Number of blocs = 143
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: 9.9905E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9952E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9971E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9973E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 9.9982E-10
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0010E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 4.6056E-02
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 6.9636E-02
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 0.1203
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 0.5133
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 0.9303
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 1.866
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 2.621
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 4.263
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 5.060
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 5.514
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 5.831
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 7.491
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 8.375
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 8.981
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 9.644
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 11.38
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 13.31
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 15.62
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 16.46
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 17.36
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 18.19
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 19.43
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 20.11
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 20.66
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 21.65
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 22.46
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 22.50
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 24.00
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 24.85
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 25.17
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 25.21
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 26.57
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 26.91
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 27.21
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 29.39
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 30.20
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 31.31
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 31.96
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 32.27
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 33.68
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 34.57
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 35.05
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 35.57
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 36.79
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 37.59
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 38.23
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 38.85
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 40.02
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 41.65
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 42.14
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 43.00
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 43.59
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 43.88
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 44.36
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 45.81
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 46.04
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 47.61
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 48.18
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 49.35
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 50.10
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 50.33
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 52.76
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 53.37
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 54.14
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 54.43
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 55.39
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 56.29
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 57.81
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 58.02
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 59.15
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 60.41
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 60.99
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 61.75
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 62.62
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 63.24
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 64.69
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 64.98
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 65.49
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 67.93
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 68.25
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 68.89
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 69.30
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 69.62
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 70.97
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 71.42
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 72.24
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 73.36
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 73.69
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 74.79
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 75.01
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 75.72
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 76.45
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 76.66
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 77.32
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 77.65
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 78.87
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 79.33
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 80.02
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 81.02
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 81.30
Rtb_to_modes> 106 vectors, with 858 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
0.99999 1.00000 1.00001 1.00001 1.00001
1.00000 1.00001 1.00000 1.00001 0.99999
0.99999 1.00000 1.00003 0.99999 1.00000
0.99999 1.00000 1.00001 0.99995 1.00001
1.00000 1.00001 1.00001 0.99999 0.99999
1.00002 0.99999 1.00002 1.00002 0.99996
0.99999 1.00003 1.00000 1.00001 1.00002
0.99999 1.00002 1.00004 1.00000 0.99997
1.00002 1.00000 1.00002 1.00003 0.99999
0.99998 1.00000 0.99999 1.00002 0.99999
0.99999 1.00000 1.00000 1.00002 0.99999
1.00002 0.99999 1.00002 0.99999 0.99997
1.00000 1.00000 0.99999 0.99997 1.00000
0.99997 0.99995 1.00000 1.00001 0.99998
0.99999 1.00000 1.00002 1.00001 0.99998
1.00000 1.00000 1.00001 0.99998 0.99999
1.00000 0.99999 1.00001 0.99996 0.99998
0.99999 1.00000 0.99999 1.00000 1.00000
0.99999 1.00001 1.00000 0.99999 1.00001
1.00000 1.00002 0.99998 0.99999 0.99998
1.00003 0.99999 1.00000 1.00000 1.00000
1.00003
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 20268 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
0.99999 1.00000 1.00001 1.00001 1.00001
1.00000 1.00001 1.00000 1.00001 0.99999
0.99999 1.00000 1.00003 0.99999 1.00000
0.99999 1.00000 1.00001 0.99995 1.00001
1.00000 1.00001 1.00001 0.99999 0.99999
1.00002 0.99999 1.00002 1.00002 0.99996
0.99999 1.00003 1.00000 1.00001 1.00002
0.99999 1.00002 1.00004 1.00000 0.99997
1.00002 1.00000 1.00002 1.00003 0.99999
0.99998 1.00000 0.99999 1.00002 0.99999
0.99999 1.00000 1.00000 1.00002 0.99999
1.00002 0.99999 1.00002 0.99999 0.99997
1.00000 1.00000 0.99999 0.99997 1.00000
0.99997 0.99995 1.00000 1.00001 0.99998
0.99999 1.00000 1.00002 1.00001 0.99998
1.00000 1.00000 1.00001 0.99998 0.99999
1.00000 0.99999 1.00001 0.99996 0.99998
0.99999 1.00000 0.99999 1.00000 1.00000
0.99999 1.00001 1.00000 0.99999 1.00001
1.00000 1.00002 0.99998 0.99999 0.99998
1.00003 0.99999 1.00000 1.00000 1.00000
1.00003
Orthogonality of first eigenvectors (zero expected):
Vector 2:-0.000
Vector 3:-0.000 0.000
Vector 4: 0.000-0.000-0.000
Vector 5:-0.000 0.000 0.000-0.000
Vector 6:-0.000 0.000 0.000-0.000-0.000
Vector 7:-0.000 0.000-0.000 0.000-0.000 0.000
Vector 8: 0.000 0.000-0.000 0.000 0.000-0.000 0.000
Vector 9: 0.000 0.000-0.000-0.000 0.000-0.000-0.000-0.000
Vector 10: 0.000 0.000 0.000-0.000-0.000-0.000-0.000-0.000-0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 240624134016553992.eigenfacs
Openam> file on opening on unit 10:
240624134016553992.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 240624134016553992.atom
Openam> file on opening on unit 11:
240624134016553992.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 = 143
First residue number = 5
Last residue number = 147
Number of atoms found = 1126
Mean number per residue = 7.9
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9905E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9952E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9971E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9973E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9982E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0010E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 4.6056E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 6.9636E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1203
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5133
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9303
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.866
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 2.621
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 4.263
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 5.060
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 5.514
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 5.831
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 7.491
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 8.375
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 8.981
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 9.644
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 11.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 13.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 15.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 16.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 17.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 18.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 19.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 20.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 20.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 21.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 22.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 22.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 24.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 24.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 25.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 25.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 26.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 26.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 27.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 29.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 30.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 31.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 31.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 32.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 33.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 34.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 35.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 35.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 36.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 37.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 38.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 38.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 40.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 41.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 42.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 43.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 43.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 43.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 44.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 45.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 46.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 47.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 48.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 49.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 50.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 50.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 52.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 53.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 54.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 54.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 55.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 56.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 57.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 58.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 59.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 60.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 60.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 61.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 62.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 63.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 64.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 64.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 65.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 67.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 68.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 68.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 69.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 69.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 70.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 71.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 72.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 73.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 73.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 74.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 75.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 75.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 76.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 76.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 77.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 77.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 78.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 79.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 80.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 81.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 81.30
Bfactors> 106 vectors, 3378 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 : 0.046056
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= 0.086 for 143 C-alpha atoms.
Bfactors> = 0.680 +/- 0.39
Bfactors> = 28.089 +/- 11.30
Bfactors> Shiftng-fct= 27.409
Bfactors> Scaling-fct= 28.718
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
Chkmod> Version 1.00, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 240624134016553992.eigenfacs
Openam> file on opening on unit 10:
240624134016553992.eigenfacs
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Frequence du vecteur en lecture: 3.4322E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Frequence du vecteur en lecture: 3.4330E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Frequence du vecteur en lecture: 3.4333E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Frequence du vecteur en lecture: 3.4333E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Frequence du vecteur en lecture: 3.4335E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Frequence du vecteur en lecture: 3.4355E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Frequence du vecteur en lecture: 23.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Frequence du vecteur en lecture: 28.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Frequence du vecteur en lecture: 37.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Frequence du vecteur en lecture: 77.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Frequence du vecteur en lecture: 104.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Frequence du vecteur en lecture: 148.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Frequence du vecteur en lecture: 175.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Frequence du vecteur en lecture: 224.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Frequence du vecteur en lecture: 244.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Frequence du vecteur en lecture: 255.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Frequence du vecteur en lecture: 262.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Frequence du vecteur en lecture: 297.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Frequence du vecteur en lecture: 314.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Frequence du vecteur en lecture: 325.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Frequence du vecteur en lecture: 337.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Frequence du vecteur en lecture: 366.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Frequence du vecteur en lecture: 396.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Frequence du vecteur en lecture: 429.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Frequence du vecteur en lecture: 440.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Frequence du vecteur en lecture: 452.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Frequence du vecteur en lecture: 463.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Frequence du vecteur en lecture: 478.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Frequence du vecteur en lecture: 486.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Frequence du vecteur en lecture: 493.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Frequence du vecteur en lecture: 505.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Frequence du vecteur en lecture: 514.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Frequence du vecteur en lecture: 515.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Frequence du vecteur en lecture: 532.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Frequence du vecteur en lecture: 541.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Frequence du vecteur en lecture: 544.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Frequence du vecteur en lecture: 545.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Frequence du vecteur en lecture: 559.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Frequence du vecteur en lecture: 563.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Frequence du vecteur en lecture: 566.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Frequence du vecteur en lecture: 588.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Frequence du vecteur en lecture: 596.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Frequence du vecteur en lecture: 607.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Frequence du vecteur en lecture: 613.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Frequence du vecteur en lecture: 616.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Frequence du vecteur en lecture: 630.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Frequence du vecteur en lecture: 638.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Frequence du vecteur en lecture: 642.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Frequence du vecteur en lecture: 647.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Frequence du vecteur en lecture: 658.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Frequence du vecteur en lecture: 665.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Frequence du vecteur en lecture: 671.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Frequence du vecteur en lecture: 676.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Frequence du vecteur en lecture: 686.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Frequence du vecteur en lecture: 700.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Frequence du vecteur en lecture: 704.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Frequence du vecteur en lecture: 712.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Frequence du vecteur en lecture: 716.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Frequence du vecteur en lecture: 719.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Frequence du vecteur en lecture: 723.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Frequence du vecteur en lecture: 734.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Frequence du vecteur en lecture: 736.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Frequence du vecteur en lecture: 749.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Frequence du vecteur en lecture: 753.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Frequence du vecteur en lecture: 762.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Frequence du vecteur en lecture: 768.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Frequence du vecteur en lecture: 770.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Frequence du vecteur en lecture: 788.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Frequence du vecteur en lecture: 793.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Frequence du vecteur en lecture: 799.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Frequence du vecteur en lecture: 801.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Frequence du vecteur en lecture: 808.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Frequence du vecteur en lecture: 814.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Frequence du vecteur en lecture: 825.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Frequence du vecteur en lecture: 827.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Frequence du vecteur en lecture: 835.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Frequence du vecteur en lecture: 844.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Frequence du vecteur en lecture: 848.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Frequence du vecteur en lecture: 853.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Frequence du vecteur en lecture: 859.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Frequence du vecteur en lecture: 863.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Frequence du vecteur en lecture: 873.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Frequence du vecteur en lecture: 875.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Frequence du vecteur en lecture: 878.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Frequence du vecteur en lecture: 895.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Frequence du vecteur en lecture: 897.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Frequence du vecteur en lecture: 901.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Frequence du vecteur en lecture: 903.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Frequence du vecteur en lecture: 906.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Frequence du vecteur en lecture: 914.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Frequence du vecteur en lecture: 917.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Frequence du vecteur en lecture: 922.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Frequence du vecteur en lecture: 930.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Frequence du vecteur en lecture: 932.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Frequence du vecteur en lecture: 939.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Frequence du vecteur en lecture: 940.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Frequence du vecteur en lecture: 944.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Frequence du vecteur en lecture: 949.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Frequence du vecteur en lecture: 950.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Frequence du vecteur en lecture: 954.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Frequence du vecteur en lecture: 956.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Frequence du vecteur en lecture: 964.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Frequence du vecteur en lecture: 967.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Frequence du vecteur en lecture: 971.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Frequence du vecteur en lecture: 977.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Frequence du vecteur en lecture: 979.1
Chkmod> 106 vectors, 3378 coordinates in file.
Chkmod> That is: 1126 cartesian points.
Openam> file on opening on unit 11:
Chkmod.res
Chkmod> Collectivity=f(frequency) to be written in this file.
%Chkmod-Wn> Norm of vector 67 is: 0.9999 (instead of 1.0000).
Chkmod> Normal end.
0.0034 0.7677
0.0034 0.7449
0.0034 0.7433
0.0034 0.9239
0.0034 0.8641
0.0034 0.9906
23.3034 0.7366
28.6545 0.6792
37.6625 0.7387
77.7969 0.6484
104.7341 0.6910
148.3312 0.5961
175.7965 0.3311
224.1993 0.3392
244.2597 0.1784
254.9823 0.5045
262.2093 0.5122
297.1984 0.1972
314.2455 0.2126
325.4161 0.4270
337.2137 0.3525
366.3092 0.5553
396.1555 0.1381
429.1579 0.3771
440.5463 0.3628
452.4301 0.3652
463.1194 0.4205
478.6445 0.3981
486.9481 0.3760
493.5621 0.2181
505.2491 0.4464
514.6139 0.5211
515.0719 0.3803
531.9640 0.4881
541.3023 0.4822
544.7763 0.3286
545.2091 0.2592
559.7220 0.3174
563.2919 0.2604
566.4230 0.2736
588.6761 0.2095
596.7331 0.4921
607.6006 0.2915
613.8751 0.2285
616.8451 0.3412
630.1772 0.5637
638.4492 0.3321
642.8663 0.3043
647.6175 0.2236
658.6300 0.3416
665.7525 0.4967
671.3961 0.4034
676.8184 0.3304
686.9343 0.3402
700.7839 0.2424
704.8941 0.3444
712.0506 0.4292
716.9190 0.3919
719.2998 0.2833
723.2233 0.4043
734.9483 0.3685
736.7910 0.4712
749.2482 0.4779
753.7200 0.4306
762.8167 0.3201
768.5914 0.2928
770.3536 0.2459
788.7312 0.4647
793.2777 0.2610
798.9797 0.2995
801.1167 0.5200
808.1506 0.5356
814.6898 0.3397
825.6160 0.4045
827.1142 0.4053
835.1299 0.3473
843.9779 0.3535
848.0197 0.3447
853.2870 0.3433
859.2770 0.2706
863.5203 0.3525
873.3639 0.4567
875.3193 0.4714
878.7476 0.4028
894.9679 0.4545
897.0734 0.3197
901.2696 0.1867
903.9476 0.3698
906.0322 0.3471
914.7745 0.4374
917.6701 0.3326
922.9231 0.3748
930.0500 0.3257
932.1395 0.4111
939.0709 0.4228
940.4511 0.3631
944.8915 0.4183
949.4353 0.2424
950.7384 0.2700
954.8223 0.2416
956.8577 0.2372
964.3453 0.2779
967.1534 0.2943
971.3504 0.2977
977.4009 0.0881
979.0884 0.1916
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> 240624134016553992.eigenfacs
Openam> file on opening on unit 10:
240624134016553992.eigenfacs
Getnam> Pdb file with the reference structure ?
Getnam> 240624134016553992.atom
Openam> file on opening on unit 11:
240624134016553992.atom
Getnam> Pdb file with the other conformer ?
Getnam> 240624134016553992.atom2
Openam> file on opening on unit 12:
240624134016553992.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: 3.4322E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Frequence du vecteur en lecture: 3.4330E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Frequence du vecteur en lecture: 3.4333E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Frequence du vecteur en lecture: 3.4333E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Frequence du vecteur en lecture: 3.4335E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Frequence du vecteur en lecture: 3.4355E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Frequence du vecteur en lecture: 23.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Frequence du vecteur en lecture: 28.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Frequence du vecteur en lecture: 37.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Frequence du vecteur en lecture: 77.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Frequence du vecteur en lecture: 104.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Frequence du vecteur en lecture: 148.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Frequence du vecteur en lecture: 175.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Frequence du vecteur en lecture: 224.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Frequence du vecteur en lecture: 244.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Frequence du vecteur en lecture: 255.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Frequence du vecteur en lecture: 262.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Frequence du vecteur en lecture: 297.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Frequence du vecteur en lecture: 314.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Frequence du vecteur en lecture: 325.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Frequence du vecteur en lecture: 337.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Frequence du vecteur en lecture: 366.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Frequence du vecteur en lecture: 396.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Frequence du vecteur en lecture: 429.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Frequence du vecteur en lecture: 440.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Frequence du vecteur en lecture: 452.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Frequence du vecteur en lecture: 463.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Frequence du vecteur en lecture: 478.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Frequence du vecteur en lecture: 486.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Frequence du vecteur en lecture: 493.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Frequence du vecteur en lecture: 505.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Frequence du vecteur en lecture: 514.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Frequence du vecteur en lecture: 515.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Frequence du vecteur en lecture: 532.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Frequence du vecteur en lecture: 541.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Frequence du vecteur en lecture: 544.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Frequence du vecteur en lecture: 545.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Frequence du vecteur en lecture: 559.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Frequence du vecteur en lecture: 563.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Frequence du vecteur en lecture: 566.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Frequence du vecteur en lecture: 588.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Frequence du vecteur en lecture: 596.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Frequence du vecteur en lecture: 607.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Frequence du vecteur en lecture: 613.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Frequence du vecteur en lecture: 616.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Frequence du vecteur en lecture: 630.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Frequence du vecteur en lecture: 638.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Frequence du vecteur en lecture: 642.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Frequence du vecteur en lecture: 647.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Frequence du vecteur en lecture: 658.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Frequence du vecteur en lecture: 665.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Frequence du vecteur en lecture: 671.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Frequence du vecteur en lecture: 676.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Frequence du vecteur en lecture: 686.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Frequence du vecteur en lecture: 700.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Frequence du vecteur en lecture: 704.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Frequence du vecteur en lecture: 712.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Frequence du vecteur en lecture: 716.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Frequence du vecteur en lecture: 719.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Frequence du vecteur en lecture: 723.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Frequence du vecteur en lecture: 734.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Frequence du vecteur en lecture: 736.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Frequence du vecteur en lecture: 749.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Frequence du vecteur en lecture: 753.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Frequence du vecteur en lecture: 762.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Frequence du vecteur en lecture: 768.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Frequence du vecteur en lecture: 770.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Frequence du vecteur en lecture: 788.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Frequence du vecteur en lecture: 793.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Frequence du vecteur en lecture: 799.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Frequence du vecteur en lecture: 801.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Frequence du vecteur en lecture: 808.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Frequence du vecteur en lecture: 814.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Frequence du vecteur en lecture: 825.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Frequence du vecteur en lecture: 827.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Frequence du vecteur en lecture: 835.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Frequence du vecteur en lecture: 844.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Frequence du vecteur en lecture: 848.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Frequence du vecteur en lecture: 853.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Frequence du vecteur en lecture: 859.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Frequence du vecteur en lecture: 863.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Frequence du vecteur en lecture: 873.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Frequence du vecteur en lecture: 875.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Frequence du vecteur en lecture: 878.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Frequence du vecteur en lecture: 895.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Frequence du vecteur en lecture: 897.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Frequence du vecteur en lecture: 901.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Frequence du vecteur en lecture: 903.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Frequence du vecteur en lecture: 906.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Frequence du vecteur en lecture: 914.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Frequence du vecteur en lecture: 917.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Frequence du vecteur en lecture: 922.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Frequence du vecteur en lecture: 930.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Frequence du vecteur en lecture: 932.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Frequence du vecteur en lecture: 939.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Frequence du vecteur en lecture: 940.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Frequence du vecteur en lecture: 944.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Frequence du vecteur en lecture: 949.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Frequence du vecteur en lecture: 950.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Frequence du vecteur en lecture: 954.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Frequence du vecteur en lecture: 956.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Frequence du vecteur en lecture: 964.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Frequence du vecteur en lecture: 967.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Frequence du vecteur en lecture: 971.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Frequence du vecteur en lecture: 977.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Frequence du vecteur en lecture: 979.1
Projmod> 106 vectors, 3378 coordinates in file.
Rdatompdb> Reading pdb file.
Rdatompdb> End of file reached.
Rdatompdb> Number of I/O errors: 0
Rdatompdb> Number of residues found = 143
First residue number = 5
Last residue number = 147
Number of atoms found = 1126
Mean number per residue = 7.9
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 = 145
First residue number = 2
Last residue number = 146
Number of atoms found = 1146
Mean number per residue = 7.9
%Projmod-Wn> Different number of atoms for the other conformer.
%Projmod-Wn> Different number of residues for the other conformer.
%Projmod-Er> Atom 978 of first conformer: ASN 129 N not found in second one.
getting mode 7
running: ../../bin/get_modes.sh 240624134016553992 7 -100 100 20 on on
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-80
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-60
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-40
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-20
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=0
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=20
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=40
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=60
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=80
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=100
240624134016553992.eigenfacs
240624134016553992.atom
making animated gifs
11 models are in 240624134016553992.7.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 240624134016553992.7.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 240624134016553992.7.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 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=-100 142 16.178 39 1.435
MODEL 2 MODE=7 DQ=-80 142 16.341 38 1.339
MODEL 3 MODE=7 DQ=-60 142 16.516 39 1.376
MODEL 4 MODE=7 DQ=-40 142 16.703 39 1.355
MODEL 5 MODE=7 DQ=-20 142 16.900 39 1.340
MODEL 6 MODE=7 DQ=0 142 17.106 39 1.329
MODEL 7 MODE=7 DQ=20 142 17.320 39 1.323
MODEL 8 MODE=7 DQ=40 142 17.540 38 1.257
MODEL 9 MODE=7 DQ=60 142 17.767 38 1.453
MODEL 10 MODE=7 DQ=80 142 17.998 38 1.364
MODEL 11 MODE=7 DQ=100 142 18.235 39 1.395
getting mode 8
running: ../../bin/get_modes.sh 240624134016553992 8 -100 100 20 on on
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-80
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-60
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-40
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-20
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=0
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=20
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=40
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=60
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=80
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=100
240624134016553992.eigenfacs
240624134016553992.atom
making animated gifs
11 models are in 240624134016553992.8.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 240624134016553992.8.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 240624134016553992.8.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 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=-100 142 17.780
MODEL 2 MODE=8 DQ=-80 142 17.612
MODEL 3 MODE=8 DQ=-60 142 17.461 38 1.255
MODEL 4 MODE=8 DQ=-40 142 17.326 38 1.252
MODEL 5 MODE=8 DQ=-20 142 17.207 39 1.336
MODEL 6 MODE=8 DQ=0 142 17.106 39 1.329
MODEL 7 MODE=8 DQ=20 142 17.022 40 1.415
MODEL 8 MODE=8 DQ=40 142 16.957 40 1.421
MODEL 9 MODE=8 DQ=60 142 16.909 40 1.433
MODEL 10 MODE=8 DQ=80 142 16.880 40 1.453
MODEL 11 MODE=8 DQ=100 142 16.869 39 1.428
getting mode 9
running: ../../bin/get_modes.sh 240624134016553992 9 -100 100 20 on on
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-80
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-60
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-40
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-20
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=0
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=20
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=40
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=60
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=80
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=100
240624134016553992.eigenfacs
240624134016553992.atom
making animated gifs
11 models are in 240624134016553992.9.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 240624134016553992.9.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 240624134016553992.9.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 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=-100 142 16.497 40 1.494
MODEL 2 MODE=9 DQ=-80 142 16.581 40 1.438
MODEL 3 MODE=9 DQ=-60 142 16.685 40 1.410
MODEL 4 MODE=9 DQ=-40 142 16.807 40 1.402
MODEL 5 MODE=9 DQ=-20 142 16.947 39 1.324
MODEL 6 MODE=9 DQ=0 142 17.106 39 1.329
MODEL 7 MODE=9 DQ=20 142 17.282 41 1.460
MODEL 8 MODE=9 DQ=40 142 17.475 40 1.397
MODEL 9 MODE=9 DQ=60 142 17.684
MODEL 10 MODE=9 DQ=80 142 17.908
MODEL 11 MODE=9 DQ=100 142 18.147
getting mode 10
running: ../../bin/get_modes.sh 240624134016553992 10 -100 100 20 on on
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-80
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-60
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-40
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-20
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=0
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=20
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=40
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=60
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=80
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=100
240624134016553992.eigenfacs
240624134016553992.atom
making animated gifs
11 models are in 240624134016553992.10.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 240624134016553992.10.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 240624134016553992.10.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 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=-100 142 16.362 38 1.658
MODEL 2 MODE=10 DQ=-80 142 16.481 38 1.578
MODEL 3 MODE=10 DQ=-60 142 16.616 42 1.659
MODEL 4 MODE=10 DQ=-40 142 16.765 40 1.485
MODEL 5 MODE=10 DQ=-20 142 16.929 40 1.427
MODEL 6 MODE=10 DQ=0 142 17.106 39 1.329
MODEL 7 MODE=10 DQ=20 142 17.296 40 1.381
MODEL 8 MODE=10 DQ=40 142 17.498 40 1.387
MODEL 9 MODE=10 DQ=60 142 17.711 38 1.320
MODEL 10 MODE=10 DQ=80 142 17.935 40 1.505
MODEL 11 MODE=10 DQ=100 142 18.169 42 1.627
getting mode 11
running: ../../bin/get_modes.sh 240624134016553992 11 -100 100 20 on on
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-80
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-60
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-40
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-20
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=0
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=20
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=40
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=60
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=80
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=100
240624134016553992.eigenfacs
240624134016553992.atom
making animated gifs
11 models are in 240624134016553992.11.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 240624134016553992.11.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 240624134016553992.11.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 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=-100 142 17.941 36 1.483
MODEL 2 MODE=11 DQ=-80 142 17.748 38 1.550
MODEL 3 MODE=11 DQ=-60 142 17.567 38 1.492
MODEL 4 MODE=11 DQ=-40 142 17.401 39 1.454
MODEL 5 MODE=11 DQ=-20 142 17.247 39 1.388
MODEL 6 MODE=11 DQ=0 142 17.106 39 1.329
MODEL 7 MODE=11 DQ=20 142 16.978 39 1.356
MODEL 8 MODE=11 DQ=40 142 16.862 43 1.526
MODEL 9 MODE=11 DQ=60 142 16.757 42 1.571
MODEL 10 MODE=11 DQ=80 142 16.664 38 1.552
MODEL 11 MODE=11 DQ=100 142 16.581 38 1.593
getting mode 12
running: ../../bin/get_modes.sh 240624134016553992 12 -100 100 20 on on
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-80
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-60
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-40
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-20
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=0
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=20
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=40
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=60
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=80
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=100
240624134016553992.eigenfacs
240624134016553992.atom
making animated gifs
11 models are in 240624134016553992.12.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 240624134016553992.12.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 240624134016553992.12.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 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=-100 142 17.788
MODEL 2 MODE=12 DQ=-80 142 17.618
MODEL 3 MODE=12 DQ=-60 142 17.464
MODEL 4 MODE=12 DQ=-40 142 17.327 36 1.573
MODEL 5 MODE=12 DQ=-20 142 17.208 39 1.469
MODEL 6 MODE=12 DQ=0 142 17.106 39 1.329
MODEL 7 MODE=12 DQ=20 142 17.022 43 1.417
MODEL 8 MODE=12 DQ=40 142 16.957 45 1.388
MODEL 9 MODE=12 DQ=60 142 16.910 44 1.269
MODEL 10 MODE=12 DQ=80 142 16.882 43 1.200
MODEL 11 MODE=12 DQ=100 142 16.872
getting mode 13
running: ../../bin/get_modes.sh 240624134016553992 13 -100 100 20 on on
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-80
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-60
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-40
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-20
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=0
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=20
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=40
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=60
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=80
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=100
240624134016553992.eigenfacs
240624134016553992.atom
making animated gifs
11 models are in 240624134016553992.13.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 240624134016553992.13.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 240624134016553992.13.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 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=-100 142 17.253
MODEL 2 MODE=13 DQ=-80 142 17.191 50 1.583
MODEL 3 MODE=13 DQ=-60 142 17.145 49 1.557
MODEL 4 MODE=13 DQ=-40 142 17.116 47 1.422
MODEL 5 MODE=13 DQ=-20 142 17.102 45 1.442
MODEL 6 MODE=13 DQ=0 142 17.106 39 1.329
MODEL 7 MODE=13 DQ=20 142 17.126 38 1.384
MODEL 8 MODE=13 DQ=40 142 17.164 36 1.363
MODEL 9 MODE=13 DQ=60 142 17.218
MODEL 10 MODE=13 DQ=80 142 17.288
MODEL 11 MODE=13 DQ=100 142 17.376
getting mode 14
running: ../../bin/get_modes.sh 240624134016553992 14 -100 100 20 on on
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-80
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-60
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-40
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-20
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=0
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=20
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=40
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=60
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=80
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=100
240624134016553992.eigenfacs
240624134016553992.atom
making animated gifs
11 models are in 240624134016553992.14.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 240624134016553992.14.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 240624134016553992.14.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 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=-100 142 17.118 39 1.393
MODEL 2 MODE=14 DQ=-80 142 17.085 40 1.396
MODEL 3 MODE=14 DQ=-60 142 17.067 40 1.364
MODEL 4 MODE=14 DQ=-40 142 17.064 40 1.368
MODEL 5 MODE=14 DQ=-20 142 17.078 40 1.376
MODEL 6 MODE=14 DQ=0 142 17.106 39 1.329
MODEL 7 MODE=14 DQ=20 142 17.150 39 1.353
MODEL 8 MODE=14 DQ=40 142 17.209 40 1.463
MODEL 9 MODE=14 DQ=60 142 17.283 40 1.532
MODEL 10 MODE=14 DQ=80 142 17.371 40 1.625
MODEL 11 MODE=14 DQ=100 142 17.474 37 1.609
getting mode 15
running: ../../bin/get_modes.sh 240624134016553992 15 -100 100 20 on on
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-80
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-60
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-40
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-20
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=0
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=20
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=40
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=60
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=80
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=100
240624134016553992.eigenfacs
240624134016553992.atom
making animated gifs
11 models are in 240624134016553992.15.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 240624134016553992.15.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 240624134016553992.15.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 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=-100 142 17.215
MODEL 2 MODE=15 DQ=-80 142 17.161 38 1.516
MODEL 3 MODE=15 DQ=-60 142 17.122 37 1.460
MODEL 4 MODE=15 DQ=-40 142 17.101 39 1.485
MODEL 5 MODE=15 DQ=-20 142 17.095 38 1.314
MODEL 6 MODE=15 DQ=0 142 17.106 39 1.329
MODEL 7 MODE=15 DQ=20 142 17.133 39 1.332
MODEL 8 MODE=15 DQ=40 142 17.177 38 1.313
MODEL 9 MODE=15 DQ=60 142 17.237 38 1.382
MODEL 10 MODE=15 DQ=80 142 17.312 39 1.436
MODEL 11 MODE=15 DQ=100 142 17.404 39 1.520
getting mode 16
running: ../../bin/get_modes.sh 240624134016553992 16 -100 100 20 on on
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-80
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-60
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-40
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-20
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=0
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=20
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=40
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=60
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=80
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=100
240624134016553992.eigenfacs
240624134016553992.atom
making animated gifs
11 models are in 240624134016553992.16.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 240624134016553992.16.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 240624134016553992.16.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 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=-100 142 17.123 34 1.691
MODEL 2 MODE=16 DQ=-80 142 17.087 40 1.763
MODEL 3 MODE=16 DQ=-60 142 17.067 40 1.554
MODEL 4 MODE=16 DQ=-40 142 17.064 42 1.519
MODEL 5 MODE=16 DQ=-20 142 17.077 41 1.456
MODEL 6 MODE=16 DQ=0 142 17.106 39 1.329
MODEL 7 MODE=16 DQ=20 142 17.151 38 1.278
MODEL 8 MODE=16 DQ=40 142 17.213 39 1.445
MODEL 9 MODE=16 DQ=60 142 17.290 40 1.651
MODEL 10 MODE=16 DQ=80 142 17.382 37 1.660
MODEL 11 MODE=16 DQ=100 142 17.490 31 1.504
getting mode 17
running: ../../bin/get_modes.sh 240624134016553992 17 -100 100 20 on on
normal mode computation
generate a series of perturbations for mode 17
calculating perturbed structure for DQ=-100
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-80
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-60
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-40
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-20
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=0
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=20
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=40
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=60
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=80
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=100
240624134016553992.eigenfacs
240624134016553992.atom
making animated gifs
11 models are in 240624134016553992.17.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 240624134016553992.17.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 240624134016553992.17.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 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=-100 142 17.464 43 1.684
MODEL 2 MODE=17 DQ=-80 142 17.362 44 1.667
MODEL 3 MODE=17 DQ=-60 142 17.275 43 1.548
MODEL 4 MODE=17 DQ=-40 142 17.203 43 1.530
MODEL 5 MODE=17 DQ=-20 142 17.147 40 1.379
MODEL 6 MODE=17 DQ=0 142 17.106 39 1.329
MODEL 7 MODE=17 DQ=20 142 17.080 39 1.404
MODEL 8 MODE=17 DQ=40 142 17.070 39 1.513
MODEL 9 MODE=17 DQ=60 142 17.076 37 1.502
MODEL 10 MODE=17 DQ=80 142 17.096
MODEL 11 MODE=17 DQ=100 142 17.132
getting mode 18
running: ../../bin/get_modes.sh 240624134016553992 18 -100 100 20 on on
normal mode computation
generate a series of perturbations for mode 18
calculating perturbed structure for DQ=-100
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-80
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-60
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-40
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-20
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=0
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=20
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=40
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=60
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=80
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=100
240624134016553992.eigenfacs
240624134016553992.atom
making animated gifs
11 models are in 240624134016553992.18.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 240624134016553992.18.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 240624134016553992.18.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 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=-100 142 17.041 36 1.698
MODEL 2 MODE=18 DQ=-80 142 17.029
MODEL 3 MODE=18 DQ=-60 142 17.030
MODEL 4 MODE=18 DQ=-40 142 17.043 39 1.585
MODEL 5 MODE=18 DQ=-20 142 17.068 38 1.490
MODEL 6 MODE=18 DQ=0 142 17.106 39 1.329
MODEL 7 MODE=18 DQ=20 142 17.157 44 1.532
MODEL 8 MODE=18 DQ=40 142 17.220 41 1.361
MODEL 9 MODE=18 DQ=60 142 17.295 39 1.392
MODEL 10 MODE=18 DQ=80 142 17.383 37 1.454
MODEL 11 MODE=18 DQ=100 142 17.484 36 1.530
getting mode 19
running: ../../bin/get_modes.sh 240624134016553992 19 -100 100 20 on on
normal mode computation
generate a series of perturbations for mode 19
calculating perturbed structure for DQ=-100
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-80
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-60
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-40
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-20
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=0
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=20
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=40
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=60
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=80
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=100
240624134016553992.eigenfacs
240624134016553992.atom
making animated gifs
11 models are in 240624134016553992.19.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 240624134016553992.19.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 240624134016553992.19.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 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=-100 142 17.189
MODEL 2 MODE=19 DQ=-80 142 17.152
MODEL 3 MODE=19 DQ=-60 142 17.124
MODEL 4 MODE=19 DQ=-40 142 17.108 38 1.378
MODEL 5 MODE=19 DQ=-20 142 17.102 38 1.296
MODEL 6 MODE=19 DQ=0 142 17.106 39 1.329
MODEL 7 MODE=19 DQ=20 142 17.121 39 1.345
MODEL 8 MODE=19 DQ=40 142 17.146 38 1.337
MODEL 9 MODE=19 DQ=60 142 17.180 39 1.453
MODEL 10 MODE=19 DQ=80 142 17.225 39 1.481
MODEL 11 MODE=19 DQ=100 142 17.280 40 1.588
getting mode 20
running: ../../bin/get_modes.sh 240624134016553992 20 -100 100 20 on on
normal mode computation
generate a series of perturbations for mode 20
calculating perturbed structure for DQ=-100
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-80
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-60
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-40
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-20
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=0
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=20
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=40
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=60
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=80
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=100
240624134016553992.eigenfacs
240624134016553992.atom
making animated gifs
11 models are in 240624134016553992.20.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 240624134016553992.20.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 240624134016553992.20.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 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=-100 142 17.365 40 1.512
MODEL 2 MODE=20 DQ=-80 142 17.283 39 1.416
MODEL 3 MODE=20 DQ=-60 142 17.217 42 1.498
MODEL 4 MODE=20 DQ=-40 142 17.165 42 1.455
MODEL 5 MODE=20 DQ=-20 142 17.128 43 1.540
MODEL 6 MODE=20 DQ=0 142 17.106 39 1.329
MODEL 7 MODE=20 DQ=20 142 17.099 39 1.378
MODEL 8 MODE=20 DQ=40 142 17.107 39 1.490
MODEL 9 MODE=20 DQ=60 142 17.130
MODEL 10 MODE=20 DQ=80 142 17.168
MODEL 11 MODE=20 DQ=100 142 17.221
getting mode 21
running: ../../bin/get_modes.sh 240624134016553992 21 -100 100 20 on on
normal mode computation
generate a series of perturbations for mode 21
calculating perturbed structure for DQ=-100
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-80
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-60
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-40
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-20
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=0
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=20
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=40
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=60
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=80
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=100
240624134016553992.eigenfacs
240624134016553992.atom
making animated gifs
11 models are in 240624134016553992.21.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 240624134016553992.21.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 240624134016553992.21.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 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=-100 142 17.102
MODEL 2 MODE=21 DQ=-80 142 17.080 36 1.549
MODEL 3 MODE=21 DQ=-60 142 17.070
MODEL 4 MODE=21 DQ=-40 142 17.070
MODEL 5 MODE=21 DQ=-20 142 17.083 41 1.471
MODEL 6 MODE=21 DQ=0 142 17.106 39 1.329
MODEL 7 MODE=21 DQ=20 142 17.141 42 1.598
MODEL 8 MODE=21 DQ=40 142 17.188 39 1.567
MODEL 9 MODE=21 DQ=60 142 17.246
MODEL 10 MODE=21 DQ=80 142 17.317
MODEL 11 MODE=21 DQ=100 142 17.399
getting mode 22
running: ../../bin/get_modes.sh 240624134016553992 22 -100 100 20 on on
normal mode computation
generate a series of perturbations for mode 22
calculating perturbed structure for DQ=-100
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-80
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-60
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-40
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-20
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=0
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=20
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=40
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=60
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=80
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=100
240624134016553992.eigenfacs
240624134016553992.atom
making animated gifs
11 models are in 240624134016553992.22.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 240624134016553992.22.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 240624134016553992.22.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 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=-100 142 17.228
MODEL 2 MODE=22 DQ=-80 142 17.174 20 1.615
MODEL 3 MODE=22 DQ=-60 142 17.134 19 1.357
MODEL 4 MODE=22 DQ=-40 142 17.110 39 1.504
MODEL 5 MODE=22 DQ=-20 142 17.100 40 1.368
MODEL 6 MODE=22 DQ=0 142 17.106 39 1.329
MODEL 7 MODE=22 DQ=20 142 17.127 40 1.527
MODEL 8 MODE=22 DQ=40 142 17.163 38 1.630
MODEL 9 MODE=22 DQ=60 142 17.214 36 1.733
MODEL 10 MODE=22 DQ=80 142 17.280
MODEL 11 MODE=22 DQ=100 142 17.362 8 1.610
getting mode 23
running: ../../bin/get_modes.sh 240624134016553992 23 -100 100 20 on on
normal mode computation
generate a series of perturbations for mode 23
calculating perturbed structure for DQ=-100
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-80
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-60
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-40
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-20
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=0
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=20
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=40
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=60
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=80
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=100
240624134016553992.eigenfacs
240624134016553992.atom
making animated gifs
11 models are in 240624134016553992.23.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 240624134016553992.23.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 240624134016553992.23.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 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=-100 142 17.312 39 1.534
MODEL 2 MODE=23 DQ=-80 142 17.251 42 1.603
MODEL 3 MODE=23 DQ=-60 142 17.199 42 1.545
MODEL 4 MODE=23 DQ=-40 142 17.158 39 1.342
MODEL 5 MODE=23 DQ=-20 142 17.127 39 1.321
MODEL 6 MODE=23 DQ=0 142 17.106 39 1.329
MODEL 7 MODE=23 DQ=20 142 17.095 39 1.364
MODEL 8 MODE=23 DQ=40 142 17.094 39 1.402
MODEL 9 MODE=23 DQ=60 142 17.104 39 1.449
MODEL 10 MODE=23 DQ=80 142 17.124
MODEL 11 MODE=23 DQ=100 142 17.153
getting mode 24
running: ../../bin/get_modes.sh 240624134016553992 24 -100 100 20 on on
normal mode computation
generate a series of perturbations for mode 24
calculating perturbed structure for DQ=-100
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-80
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-60
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-40
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-20
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=0
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=20
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=40
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=60
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=80
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=100
240624134016553992.eigenfacs
240624134016553992.atom
making animated gifs
11 models are in 240624134016553992.24.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 240624134016553992.24.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 240624134016553992.24.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 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=-100 142 17.115
MODEL 2 MODE=24 DQ=-80 142 17.088 35 1.644
MODEL 3 MODE=24 DQ=-60 142 17.074 38 1.634
MODEL 4 MODE=24 DQ=-40 142 17.072 38 1.533
MODEL 5 MODE=24 DQ=-20 142 17.083 39 1.383
MODEL 6 MODE=24 DQ=0 142 17.106 39 1.329
MODEL 7 MODE=24 DQ=20 142 17.142 39 1.383
MODEL 8 MODE=24 DQ=40 142 17.190 38 1.444
MODEL 9 MODE=24 DQ=60 142 17.250 32 1.544
MODEL 10 MODE=24 DQ=80 142 17.322 9 1.439
MODEL 11 MODE=24 DQ=100 142 17.407 7 1.229
getting mode 25
running: ../../bin/get_modes.sh 240624134016553992 25 -100 100 20 on on
normal mode computation
generate a series of perturbations for mode 25
calculating perturbed structure for DQ=-100
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-80
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-60
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-40
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-20
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=0
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=20
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=40
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=60
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=80
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=100
240624134016553992.eigenfacs
240624134016553992.atom
making animated gifs
11 models are in 240624134016553992.25.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 240624134016553992.25.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 240624134016553992.25.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 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=-100 142 17.306
MODEL 2 MODE=25 DQ=-80 142 17.247 36 1.702
MODEL 3 MODE=25 DQ=-60 142 17.197 38 1.732
MODEL 4 MODE=25 DQ=-40 142 17.157 38 1.578
MODEL 5 MODE=25 DQ=-20 142 17.126 39 1.468
MODEL 6 MODE=25 DQ=0 142 17.106 39 1.329
MODEL 7 MODE=25 DQ=20 142 17.096 39 1.282
MODEL 8 MODE=25 DQ=40 142 17.096 42 1.488
MODEL 9 MODE=25 DQ=60 142 17.107 40 1.457
MODEL 10 MODE=25 DQ=80 142 17.128 40 1.634
MODEL 11 MODE=25 DQ=100 142 17.161 37 1.736
getting mode 26
running: ../../bin/get_modes.sh 240624134016553992 26 -100 100 20 on on
normal mode computation
generate a series of perturbations for mode 26
calculating perturbed structure for DQ=-100
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-80
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-60
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-40
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-20
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=0
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=20
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=40
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=60
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=80
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=100
240624134016553992.eigenfacs
240624134016553992.atom
making animated gifs
11 models are in 240624134016553992.26.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 240624134016553992.26.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 240624134016553992.26.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 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=-100 142 17.193 33 1.769
MODEL 2 MODE=26 DQ=-80 142 17.150 34 1.571
MODEL 3 MODE=26 DQ=-60 142 17.120 34 1.388
MODEL 4 MODE=26 DQ=-40 142 17.103 36 1.369
MODEL 5 MODE=26 DQ=-20 142 17.098 38 1.365
MODEL 6 MODE=26 DQ=0 142 17.106 39 1.329
MODEL 7 MODE=26 DQ=20 142 17.127 39 1.334
MODEL 8 MODE=26 DQ=40 142 17.160 41 1.539
MODEL 9 MODE=26 DQ=60 142 17.206 40 1.618
MODEL 10 MODE=26 DQ=80 142 17.264 38 1.768
MODEL 11 MODE=26 DQ=100 142 17.334 37 1.867
getting mode 27
running: ../../bin/get_modes.sh 240624134016553992 27 -100 100 20 on on
normal mode computation
generate a series of perturbations for mode 27
calculating perturbed structure for DQ=-100
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-80
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-60
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-40
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-20
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=0
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=20
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=40
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=60
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=80
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=100
240624134016553992.eigenfacs
240624134016553992.atom
making animated gifs
11 models are in 240624134016553992.27.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 240624134016553992.27.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 240624134016553992.27.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 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=-100 142 17.374
MODEL 2 MODE=27 DQ=-80 142 17.293
MODEL 3 MODE=27 DQ=-60 142 17.226
MODEL 4 MODE=27 DQ=-40 142 17.172
MODEL 5 MODE=27 DQ=-20 142 17.132 39 1.478
MODEL 6 MODE=27 DQ=0 142 17.106 39 1.329
MODEL 7 MODE=27 DQ=20 142 17.094 41 1.454
MODEL 8 MODE=27 DQ=40 142 17.096 44 1.683
MODEL 9 MODE=27 DQ=60 142 17.113 43 1.724
MODEL 10 MODE=27 DQ=80 142 17.143
MODEL 11 MODE=27 DQ=100 142 17.187
getting mode 28
running: ../../bin/get_modes.sh 240624134016553992 28 -100 100 20 on on
normal mode computation
generate a series of perturbations for mode 28
calculating perturbed structure for DQ=-100
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-80
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-60
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-40
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-20
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=0
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=20
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=40
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=60
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=80
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=100
240624134016553992.eigenfacs
240624134016553992.atom
making animated gifs
11 models are in 240624134016553992.28.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 240624134016553992.28.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 240624134016553992.28.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 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=-100 142 17.446 40 1.731
MODEL 2 MODE=28 DQ=-80 142 17.351 40 1.607
MODEL 3 MODE=28 DQ=-60 142 17.269 41 1.512
MODEL 4 MODE=28 DQ=-40 142 17.201 41 1.441
MODEL 5 MODE=28 DQ=-20 142 17.146 41 1.422
MODEL 6 MODE=28 DQ=0 142 17.106 39 1.329
MODEL 7 MODE=28 DQ=20 142 17.080 39 1.364
MODEL 8 MODE=28 DQ=40 142 17.067 40 1.459
MODEL 9 MODE=28 DQ=60 142 17.069 41 1.583
MODEL 10 MODE=28 DQ=80 142 17.085 40 1.681
MODEL 11 MODE=28 DQ=100 142 17.115 38 1.639
getting mode 29
running: ../../bin/get_modes.sh 240624134016553992 29 -100 100 20 on on
normal mode computation
generate a series of perturbations for mode 29
calculating perturbed structure for DQ=-100
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-80
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-60
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-40
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-20
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=0
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=20
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=40
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=60
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=80
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=100
240624134016553992.eigenfacs
240624134016553992.atom
making animated gifs
11 models are in 240624134016553992.29.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 240624134016553992.29.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 240624134016553992.29.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 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=-100 142 17.690
MODEL 2 MODE=29 DQ=-80 142 17.550 33 1.721
MODEL 3 MODE=29 DQ=-60 142 17.420 41 1.759
MODEL 4 MODE=29 DQ=-40 142 17.302 38 1.461
MODEL 5 MODE=29 DQ=-20 142 17.197 38 1.345
MODEL 6 MODE=29 DQ=0 142 17.106 39 1.329
MODEL 7 MODE=29 DQ=20 142 17.030 38 1.270
MODEL 8 MODE=29 DQ=40 142 16.968 37 1.362
MODEL 9 MODE=29 DQ=60 142 16.922 37 1.460
MODEL 10 MODE=29 DQ=80 142 16.893 37 1.668
MODEL 11 MODE=29 DQ=100 142 16.879 34 1.725
getting mode 30
running: ../../bin/get_modes.sh 240624134016553992 30 -100 100 20 on on
normal mode computation
generate a series of perturbations for mode 30
calculating perturbed structure for DQ=-100
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-80
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-60
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-40
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-20
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=0
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=20
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=40
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=60
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=80
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=100
240624134016553992.eigenfacs
240624134016553992.atom
making animated gifs
11 models are in 240624134016553992.30.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 240624134016553992.30.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 240624134016553992.30.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 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=-100 142 17.690 3 0.984
MODEL 2 MODE=30 DQ=-80 142 17.542 3 0.750
MODEL 3 MODE=30 DQ=-60 142 17.408
MODEL 4 MODE=30 DQ=-40 142 17.291 35 1.352
MODEL 5 MODE=30 DQ=-20 142 17.190 42 1.616
MODEL 6 MODE=30 DQ=0 142 17.106 39 1.329
MODEL 7 MODE=30 DQ=20 142 17.038 38 1.376
MODEL 8 MODE=30 DQ=40 142 16.988 37 1.612
MODEL 9 MODE=30 DQ=60 142 16.954 37 1.629
MODEL 10 MODE=30 DQ=80 142 16.938 36 1.697
MODEL 11 MODE=30 DQ=100 142 16.939 31 1.620
getting mode 31
running: ../../bin/get_modes.sh 240624134016553992 31 -100 100 20 on on
normal mode computation
generate a series of perturbations for mode 31
calculating perturbed structure for DQ=-100
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-80
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-60
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-40
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=-20
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=0
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=20
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=40
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=60
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=80
240624134016553992.eigenfacs
240624134016553992.atom
calculating perturbed structure for DQ=100
240624134016553992.eigenfacs
240624134016553992.atom
making animated gifs
11 models are in 240624134016553992.31.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 240624134016553992.31.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 240624134016553992.31.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 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=-100 142 17.645 38 1.641
MODEL 2 MODE=31 DQ=-80 142 17.510 37 1.514
MODEL 3 MODE=31 DQ=-60 142 17.389 43 1.596
MODEL 4 MODE=31 DQ=-40 142 17.281 42 1.469
MODEL 5 MODE=31 DQ=-20 142 17.186 41 1.399
MODEL 6 MODE=31 DQ=0 142 17.106 39 1.329
MODEL 7 MODE=31 DQ=20 142 17.040 39 1.461
MODEL 8 MODE=31 DQ=40 142 16.989 39 1.660
MODEL 9 MODE=31 DQ=60 142 16.953
MODEL 10 MODE=31 DQ=80 142 16.931
MODEL 11 MODE=31 DQ=100 142 16.925
240624134016553992.10.pdb
240624134016553992.11.pdb
240624134016553992.12.pdb
240624134016553992.13.pdb
240624134016553992.14.pdb
240624134016553992.15.pdb
240624134016553992.16.pdb
240624134016553992.17.pdb
240624134016553992.18.pdb
240624134016553992.19.pdb
240624134016553992.20.pdb
240624134016553992.21.pdb
240624134016553992.22.pdb
240624134016553992.23.pdb
240624134016553992.24.pdb
240624134016553992.25.pdb
240624134016553992.26.pdb
240624134016553992.27.pdb
240624134016553992.28.pdb
240624134016553992.29.pdb
240624134016553992.30.pdb
240624134016553992.31.pdb
240624134016553992.7.pdb
240624134016553992.8.pdb
240624134016553992.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m9.005s
user 0m8.968s
sys 0m0.036s
rm: cannot remove '240624134016553992.sdijf': No such file or directory
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If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 25th, 2023.
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