*** galectin-1 without lactose ***
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 = 2404021408252046810.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 2404021408252046810.atom to be opened.
Openam> File opened: 2404021408252046810.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 = 267
First residue number = 1001
Last residue number = 2134
Number of atoms found = 2052
Mean number per residue = 7.7
Pdbmat> Coordinate statistics:
= 16.783264 +/- 9.598157 From: -5.858000 To: 40.141000
= 43.543646 +/- 13.129577 From: 17.784000 To: 70.833000
= 32.069591 +/- 11.211626 From: 7.068000 To: 55.786000
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 4.0517 % Filled.
Pdbmat> 767850 non-zero elements.
Pdbmat> 83962 atom-atom interactions.
Pdbmat> Number per atom= 81.83 +/- 21.77
Maximum number = 127
Minimum number = 15
Pdbmat> Matrix trace = 1.679240E+06
Pdbmat> Larger element = 486.416
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
267 non-zero elements, NRBL set to 2
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 = 2404021408252046810.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 2
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 2404021408252046810.atom to be opened.
Openam> file on opening on unit 11:
2404021408252046810.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 2052 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 2 residue(s) per block.
Blocpdb> 267 residues.
Blocpdb> 11 atoms in block 1
Block first atom: 1
Blocpdb> 12 atoms in block 2
Block first atom: 12
Blocpdb> 12 atoms in block 3
Block first atom: 24
Blocpdb> 14 atoms in block 4
Block first atom: 36
Blocpdb> 16 atoms in block 5
Block first atom: 50
Blocpdb> 17 atoms in block 6
Block first atom: 66
Blocpdb> 11 atoms in block 7
Block first atom: 83
Blocpdb> 9 atoms in block 8
Block first atom: 94
Blocpdb> 19 atoms in block 9
Block first atom: 103
Blocpdb> 18 atoms in block 10
Block first atom: 122
Blocpdb> 13 atoms in block 11
Block first atom: 140
Blocpdb> 12 atoms in block 12
Block first atom: 153
Blocpdb> 15 atoms in block 13
Block first atom: 165
Blocpdb> 14 atoms in block 14
Block first atom: 180
Blocpdb> 17 atoms in block 15
Block first atom: 194
Blocpdb> 15 atoms in block 16
Block first atom: 211
Blocpdb> 16 atoms in block 17
Block first atom: 226
Blocpdb> 13 atoms in block 18
Block first atom: 242
Blocpdb> 14 atoms in block 19
Block first atom: 255
Blocpdb> 16 atoms in block 20
Block first atom: 269
Blocpdb> 14 atoms in block 21
Block first atom: 285
Blocpdb> 18 atoms in block 22
Block first atom: 299
Blocpdb> 19 atoms in block 23
Block first atom: 317
Blocpdb> 18 atoms in block 24
Block first atom: 336
Blocpdb> 19 atoms in block 25
Block first atom: 354
Blocpdb> 15 atoms in block 26
Block first atom: 373
Blocpdb> 12 atoms in block 27
Block first atom: 388
Blocpdb> 13 atoms in block 28
Block first atom: 400
Blocpdb> 15 atoms in block 29
Block first atom: 413
Blocpdb> 13 atoms in block 30
Block first atom: 428
Blocpdb> 14 atoms in block 31
Block first atom: 441
Blocpdb> 17 atoms in block 32
Block first atom: 455
Blocpdb> 12 atoms in block 33
Block first atom: 472
Blocpdb> 19 atoms in block 34
Block first atom: 484
Blocpdb> 11 atoms in block 35
Block first atom: 503
Blocpdb> 18 atoms in block 36
Block first atom: 514
Blocpdb> 20 atoms in block 37
Block first atom: 532
Blocpdb> 12 atoms in block 38
Block first atom: 552
Blocpdb> 18 atoms in block 39
Block first atom: 564
Blocpdb> 20 atoms in block 40
Block first atom: 582
Blocpdb> 11 atoms in block 41
Block first atom: 602
Blocpdb> 13 atoms in block 42
Block first atom: 613
Blocpdb> 14 atoms in block 43
Block first atom: 626
Blocpdb> 13 atoms in block 44
Block first atom: 640
Blocpdb> 15 atoms in block 45
Block first atom: 653
Blocpdb> 19 atoms in block 46
Block first atom: 668
Blocpdb> 14 atoms in block 47
Block first atom: 687
Blocpdb> 16 atoms in block 48
Block first atom: 701
Blocpdb> 14 atoms in block 49
Block first atom: 717
Blocpdb> 17 atoms in block 50
Block first atom: 731
Blocpdb> 15 atoms in block 51
Block first atom: 748
Blocpdb> 16 atoms in block 52
Block first atom: 763
Blocpdb> 20 atoms in block 53
Block first atom: 779
Blocpdb> 20 atoms in block 54
Block first atom: 799
Blocpdb> 15 atoms in block 55
Block first atom: 819
Blocpdb> 19 atoms in block 56
Block first atom: 834
Blocpdb> 16 atoms in block 57
Block first atom: 853
Blocpdb> 14 atoms in block 58
Block first atom: 869
Blocpdb> 16 atoms in block 59
Block first atom: 883
Blocpdb> 20 atoms in block 60
Block first atom: 899
Blocpdb> 10 atoms in block 61
Block first atom: 919
Blocpdb> 12 atoms in block 62
Block first atom: 929
Blocpdb> 19 atoms in block 63
Block first atom: 941
Blocpdb> 17 atoms in block 64
Block first atom: 960
Blocpdb> 15 atoms in block 65
Block first atom: 977
Blocpdb> 12 atoms in block 66
Block first atom: 992
Blocpdb> 20 atoms in block 67
Block first atom: 1004
Blocpdb> 11 atoms in block 68
Block first atom: 1024
Blocpdb> 12 atoms in block 69
Block first atom: 1035
Blocpdb> 12 atoms in block 70
Block first atom: 1047
Blocpdb> 14 atoms in block 71
Block first atom: 1059
Blocpdb> 16 atoms in block 72
Block first atom: 1073
Blocpdb> 17 atoms in block 73
Block first atom: 1089
Blocpdb> 11 atoms in block 74
Block first atom: 1106
Blocpdb> 15 atoms in block 75
Block first atom: 1117
Blocpdb> 19 atoms in block 76
Block first atom: 1132
Blocpdb> 18 atoms in block 77
Block first atom: 1151
Blocpdb> 13 atoms in block 78
Block first atom: 1169
Blocpdb> 12 atoms in block 79
Block first atom: 1182
Blocpdb> 15 atoms in block 80
Block first atom: 1194
Blocpdb> 14 atoms in block 81
Block first atom: 1209
Blocpdb> 17 atoms in block 82
Block first atom: 1223
Blocpdb> 15 atoms in block 83
Block first atom: 1240
Blocpdb> 16 atoms in block 84
Block first atom: 1255
Blocpdb> 13 atoms in block 85
Block first atom: 1271
Blocpdb> 14 atoms in block 86
Block first atom: 1284
Blocpdb> 16 atoms in block 87
Block first atom: 1298
Blocpdb> 14 atoms in block 88
Block first atom: 1314
Blocpdb> 18 atoms in block 89
Block first atom: 1328
Blocpdb> 19 atoms in block 90
Block first atom: 1346
Blocpdb> 18 atoms in block 91
Block first atom: 1365
Blocpdb> 19 atoms in block 92
Block first atom: 1383
Blocpdb> 15 atoms in block 93
Block first atom: 1402
Blocpdb> 12 atoms in block 94
Block first atom: 1417
Blocpdb> 13 atoms in block 95
Block first atom: 1429
Blocpdb> 15 atoms in block 96
Block first atom: 1442
Blocpdb> 13 atoms in block 97
Block first atom: 1457
Blocpdb> 14 atoms in block 98
Block first atom: 1470
Blocpdb> 17 atoms in block 99
Block first atom: 1484
Blocpdb> 12 atoms in block 100
Block first atom: 1501
Blocpdb> 19 atoms in block 101
Block first atom: 1513
Blocpdb> 11 atoms in block 102
Block first atom: 1532
Blocpdb> 18 atoms in block 103
Block first atom: 1543
Blocpdb> 20 atoms in block 104
Block first atom: 1561
Blocpdb> 12 atoms in block 105
Block first atom: 1581
Blocpdb> 18 atoms in block 106
Block first atom: 1593
Blocpdb> 20 atoms in block 107
Block first atom: 1611
Blocpdb> 11 atoms in block 108
Block first atom: 1631
Blocpdb> 13 atoms in block 109
Block first atom: 1642
Blocpdb> 14 atoms in block 110
Block first atom: 1655
Blocpdb> 13 atoms in block 111
Block first atom: 1669
Blocpdb> 15 atoms in block 112
Block first atom: 1682
Blocpdb> 19 atoms in block 113
Block first atom: 1697
Blocpdb> 14 atoms in block 114
Block first atom: 1716
Blocpdb> 16 atoms in block 115
Block first atom: 1730
Blocpdb> 14 atoms in block 116
Block first atom: 1746
Blocpdb> 17 atoms in block 117
Block first atom: 1760
Blocpdb> 15 atoms in block 118
Block first atom: 1777
Blocpdb> 16 atoms in block 119
Block first atom: 1792
Blocpdb> 20 atoms in block 120
Block first atom: 1808
Blocpdb> 20 atoms in block 121
Block first atom: 1828
Blocpdb> 15 atoms in block 122
Block first atom: 1848
Blocpdb> 19 atoms in block 123
Block first atom: 1863
Blocpdb> 16 atoms in block 124
Block first atom: 1882
Blocpdb> 14 atoms in block 125
Block first atom: 1898
Blocpdb> 16 atoms in block 126
Block first atom: 1912
Blocpdb> 20 atoms in block 127
Block first atom: 1928
Blocpdb> 10 atoms in block 128
Block first atom: 1948
Blocpdb> 12 atoms in block 129
Block first atom: 1958
Blocpdb> 19 atoms in block 130
Block first atom: 1970
Blocpdb> 17 atoms in block 131
Block first atom: 1989
Blocpdb> 15 atoms in block 132
Block first atom: 2006
Blocpdb> 12 atoms in block 133
Block first atom: 2021
Blocpdb> 20 atoms in block 134
Block first atom: 2032
Blocpdb> 134 blocks.
Blocpdb> At most, 20 atoms in each of them.
Blocpdb> At least, 9 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> 767984 matrix lines read.
Prepmat> Matrix order = 6156
Prepmat> Matrix trace = 1679240.0000
Prepmat> Last element read: 6156 6156 213.2015
Prepmat> 9046 lines saved.
Prepmat> 7629 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: 2052
RTB> Total mass = 2052.0000
RTB> Number of atoms found in matrix: 2052
RTB> Number of blocks = 134
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 185454.0646
RTB> 48966 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 = 804
Diagstd> Nb of non-zero elements: 48966
Diagstd> Projected matrix trace = 185454.0646
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 804 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 185454.0646
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 1.6741537 2.0075311 2.4892469 6.4656294
6.7068168 8.5577563 10.7321982 11.6558007 12.0684324
12.7924324 14.4147633 16.9296772 18.4209180 19.3358301
23.1689037 24.4729983 24.9410651 25.5549521 25.8423105
26.2276224 26.7763086 28.0826197 30.1463010 31.0791704
31.3909091 32.2949984 33.2806432 33.9485216 34.3757357
34.6038804 35.4666735 36.1602701 36.2732231 37.3987559
39.4578599 40.5846581 41.2315465 41.2776605 42.1063348
43.9102855 44.6910787 46.5169299 46.8034939 47.5612415
49.3563723 49.8001696 50.0565279 51.5845861 53.3979861
54.1756599 55.0437462 55.6536919 56.2082265 57.0547392
57.7405205 58.4281881 59.9315835 61.6251555 62.4196376
62.7695442 63.0516477 64.2085691 64.6008271 66.1455479
67.1108150 67.2916383 68.1696585 69.1463057 69.9944053
70.8440323 71.2706283 71.7686521 72.8421616 73.0850749
73.6541693 74.8285060 74.8979181 75.7717522 76.4660967
77.5220958 77.5616982 78.1664539 78.2903297 78.9233270
80.7404531 82.1513309 82.2628390 82.8274708 83.3268434
83.8756180 84.8699277 85.3007061 85.8797268 87.1105695
87.7318465 88.7954791 89.4828615 89.5156850 90.4317002
90.7879119
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034324 0.0034334 0.0034336 0.0034339 0.0034342
0.0034345 140.5053769 153.8602451 171.3283642 276.1217922
281.2247254 317.6692940 355.7456692 370.7373459 377.2425837
388.3934036 412.2864269 446.8066404 466.0697488 477.5036451
522.6946108 537.2035451 542.3164504 548.9500330 552.0278018
556.1279745 561.9150088 575.4586059 596.2279018 605.3826766
608.4112374 617.1104686 626.4568117 632.7114782 636.6801079
638.7893715 646.7039431 652.9968906 654.0159712 664.0852860
682.1219790 691.7930999 697.2846303 697.6744479 704.6427700
719.5788839 725.9483102 740.6291513 742.9069440 748.8966217
762.8987373 766.3209365 768.2908156 779.9293346 793.5197115
799.2771278 805.6553066 810.1067856 814.1327427 820.2403745
825.1551744 830.0542733 840.6653682 852.4605589 857.9379953
860.3393121 862.2704448 870.1452949 872.7991600 883.1726053
889.5933681 890.7910216 896.5837011 902.9834099 908.5042104
914.0015166 916.7492725 919.9467195 926.8014250 928.3454828
931.9528656 939.3529797 939.7885583 945.2549178 949.5760254
956.1103798 956.3545643 960.0757168 960.8361652 964.7126482
975.7551933 984.2435607 984.9113157 988.2856294 991.2603735
994.5191427 1000.3965754 1002.9322428 1006.3304348 1013.5162281
1017.1240309 1023.2710978 1027.2241288 1027.4125109 1032.6558945
1034.6877184
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 2052
Rtb_to_modes> Number of blocs = 134
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: 9.9908E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9968E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9977E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9996E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0003E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 1.674
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 2.008
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 2.489
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 6.466
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 6.707
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 8.558
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 10.73
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 11.66
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 12.07
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 12.79
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 14.41
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 16.93
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 18.42
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 19.34
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 23.17
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 24.47
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 24.94
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 25.55
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 25.84
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 26.23
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 26.78
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 28.08
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 30.15
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 31.08
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 31.39
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 32.29
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 33.28
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 33.95
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 34.38
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 34.60
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 35.47
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 36.16
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 36.27
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 37.40
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 39.46
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 40.58
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 41.23
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 41.28
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 42.11
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 43.91
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 44.69
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 46.52
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 46.80
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 47.56
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 49.36
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 49.80
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 50.06
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 51.58
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 53.40
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 54.18
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 55.04
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 55.65
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 56.21
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 57.05
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 57.74
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 58.43
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 59.93
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 61.63
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 62.42
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 62.77
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 63.05
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 64.21
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 64.60
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 66.15
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 67.11
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 67.29
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 68.17
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 69.15
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 69.99
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 70.84
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 71.27
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 71.77
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 72.84
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 73.09
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 73.65
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 74.83
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 74.90
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 75.77
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 76.47
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 77.52
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 77.56
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 78.17
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 78.29
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 78.92
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 80.74
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 82.15
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 82.26
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 82.83
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 83.33
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 83.88
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 84.87
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 85.30
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 85.88
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 87.11
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 87.73
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 88.80
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 89.48
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 89.52
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 90.43
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 90.79
Rtb_to_modes> 106 vectors, with 804 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 1.00001 0.99998 1.00000 0.99999
1.00001 1.00003 1.00000 1.00002 1.00000
1.00001 1.00000 0.99996 1.00002 1.00001
1.00001 1.00000 1.00000 0.99998 1.00004
1.00000 1.00000 1.00001 1.00001 0.99998
0.99998 0.99997 1.00002 1.00002 1.00001
0.99998 1.00000 1.00001 0.99999 1.00000
1.00000 0.99999 0.99999 0.99998 1.00000
0.99998 1.00001 1.00002 1.00001 1.00002
1.00000 1.00002 1.00002 1.00001 0.99999
0.99999 1.00001 1.00001 1.00000 1.00002
1.00003 1.00000 0.99998 1.00002 0.99998
0.99999 0.99999 1.00000 0.99998 0.99998
0.99998 1.00000 1.00000 0.99998 0.99999
0.99999 1.00000 0.99998 1.00000 1.00004
1.00000 0.99994 0.99997 1.00000 1.00001
1.00002 1.00001 1.00000 0.99998 1.00001
0.99998 0.99999 1.00002 1.00000 1.00001
1.00001 1.00001 1.00001 1.00002 0.99998
1.00000 1.00000 0.99999 1.00000 1.00001
1.00000 0.99998 1.00001 1.00000 1.00001
1.00000
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 36936 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 1.00001 0.99998 1.00000 0.99999
1.00001 1.00003 1.00000 1.00002 1.00000
1.00001 1.00000 0.99996 1.00002 1.00001
1.00001 1.00000 1.00000 0.99998 1.00004
1.00000 1.00000 1.00001 1.00001 0.99998
0.99998 0.99997 1.00002 1.00002 1.00001
0.99998 1.00000 1.00001 0.99999 1.00000
1.00000 0.99999 0.99999 0.99998 1.00000
0.99998 1.00001 1.00002 1.00001 1.00002
1.00000 1.00002 1.00002 1.00001 0.99999
0.99999 1.00001 1.00001 1.00000 1.00002
1.00003 1.00000 0.99998 1.00002 0.99998
0.99999 0.99999 1.00000 0.99998 0.99998
0.99998 1.00000 1.00000 0.99998 0.99999
0.99999 1.00000 0.99998 1.00000 1.00004
1.00000 0.99994 0.99997 1.00000 1.00001
1.00002 1.00001 1.00000 0.99998 1.00001
0.99998 0.99999 1.00002 1.00000 1.00001
1.00001 1.00001 1.00001 1.00002 0.99998
1.00000 1.00000 0.99999 1.00000 1.00001
1.00000 0.99998 1.00001 1.00000 1.00001
1.00000
Orthogonality of first eigenvectors (zero expected):
Vector 2: 0.000
Vector 3:-0.000 0.000
Vector 4:-0.000 0.000 0.000
Vector 5:-0.000 0.000 0.000-0.000
Vector 6: 0.000-0.000 0.000-0.000 0.000
Vector 7: 0.000-0.000-0.000-0.000-0.000 0.000
Vector 8:-0.000 0.000-0.000-0.000 0.000 0.000 0.000
Vector 9: 0.000 0.000 0.000 0.000-0.000-0.000 0.000-0.000
Vector 10: 0.000-0.000 0.000 0.000 0.000 0.000 0.000-0.000 0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404021408252046810.eigenfacs
Openam> file on opening on unit 10:
2404021408252046810.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404021408252046810.atom
Openam> file on opening on unit 11:
2404021408252046810.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 = 267
First residue number = 1001
Last residue number = 2134
Number of atoms found = 2052
Mean number per residue = 7.7
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9908E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9968E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9977E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9996E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0001E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0003E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 1.674
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 2.008
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 2.489
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 6.466
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 6.707
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 8.558
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 10.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 11.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 12.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 12.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 14.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 16.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 18.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 19.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 23.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 24.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 24.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 25.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 25.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 26.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 26.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 28.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 30.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 31.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 31.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 32.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 33.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 33.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 34.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 34.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 35.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 36.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 36.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 37.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 39.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 40.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 41.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 41.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 42.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 43.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 44.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 46.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 46.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 47.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 49.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 49.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 50.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 51.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 53.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 54.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 55.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 55.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 56.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 57.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 57.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 58.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 59.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 61.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 62.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 62.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 63.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 64.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 64.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 66.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 67.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 67.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 68.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 69.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 69.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 70.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 71.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 71.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 72.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 73.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 73.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 74.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 74.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 75.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 76.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 77.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 77.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 78.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 78.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 78.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 80.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 82.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 82.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 82.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 83.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 83.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 84.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 85.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 85.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 87.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 87.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 88.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 89.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 89.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 90.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 90.79
Bfactors> 106 vectors, 6156 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 : 1.674000
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= 0.478 for 267 C-alpha atoms.
Bfactors> = 0.030 +/- 0.03
Bfactors> = 16.567 +/- 6.24
Bfactors> Shiftng-fct= 16.537
Bfactors> Scaling-fct= 230.675
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404021408252046810 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404021408252046810.eigenfacs
2404021408252046810.atom
calculating perturbed structure for DQ=-80
2404021408252046810.eigenfacs
2404021408252046810.atom
calculating perturbed structure for DQ=-60
2404021408252046810.eigenfacs
2404021408252046810.atom
calculating perturbed structure for DQ=-40
2404021408252046810.eigenfacs
2404021408252046810.atom
calculating perturbed structure for DQ=-20
2404021408252046810.eigenfacs
2404021408252046810.atom
calculating perturbed structure for DQ=0
2404021408252046810.eigenfacs
2404021408252046810.atom
calculating perturbed structure for DQ=20
2404021408252046810.eigenfacs
2404021408252046810.atom
calculating perturbed structure for DQ=40
2404021408252046810.eigenfacs
2404021408252046810.atom
calculating perturbed structure for DQ=60
2404021408252046810.eigenfacs
2404021408252046810.atom
calculating perturbed structure for DQ=80
2404021408252046810.eigenfacs
2404021408252046810.atom
calculating perturbed structure for DQ=100
2404021408252046810.eigenfacs
2404021408252046810.atom
making animated gifs
11 models are in 2404021408252046810.7.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 2404021408252046810.7.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 2404021408252046810.7.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
getting mode 8
running: ../../bin/get_modes.sh 2404021408252046810 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404021408252046810.eigenfacs
2404021408252046810.atom
calculating perturbed structure for DQ=-80
2404021408252046810.eigenfacs
2404021408252046810.atom
calculating perturbed structure for DQ=-60
2404021408252046810.eigenfacs
2404021408252046810.atom
calculating perturbed structure for DQ=-40
2404021408252046810.eigenfacs
2404021408252046810.atom
calculating perturbed structure for DQ=-20
2404021408252046810.eigenfacs
2404021408252046810.atom
calculating perturbed structure for DQ=0
2404021408252046810.eigenfacs
2404021408252046810.atom
calculating perturbed structure for DQ=20
2404021408252046810.eigenfacs
2404021408252046810.atom
calculating perturbed structure for DQ=40
2404021408252046810.eigenfacs
2404021408252046810.atom
calculating perturbed structure for DQ=60
2404021408252046810.eigenfacs
2404021408252046810.atom
calculating perturbed structure for DQ=80
2404021408252046810.eigenfacs
2404021408252046810.atom
calculating perturbed structure for DQ=100
2404021408252046810.eigenfacs
2404021408252046810.atom
making animated gifs
11 models are in 2404021408252046810.8.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 2404021408252046810.8.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 2404021408252046810.8.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
getting mode 9
running: ../../bin/get_modes.sh 2404021408252046810 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404021408252046810.eigenfacs
2404021408252046810.atom
calculating perturbed structure for DQ=-80
2404021408252046810.eigenfacs
2404021408252046810.atom
calculating perturbed structure for DQ=-60
2404021408252046810.eigenfacs
2404021408252046810.atom
calculating perturbed structure for DQ=-40
2404021408252046810.eigenfacs
2404021408252046810.atom
calculating perturbed structure for DQ=-20
2404021408252046810.eigenfacs
2404021408252046810.atom
calculating perturbed structure for DQ=0
2404021408252046810.eigenfacs
2404021408252046810.atom
calculating perturbed structure for DQ=20
2404021408252046810.eigenfacs
2404021408252046810.atom
calculating perturbed structure for DQ=40
2404021408252046810.eigenfacs
2404021408252046810.atom
calculating perturbed structure for DQ=60
2404021408252046810.eigenfacs
2404021408252046810.atom
calculating perturbed structure for DQ=80
2404021408252046810.eigenfacs
2404021408252046810.atom
calculating perturbed structure for DQ=100
2404021408252046810.eigenfacs
2404021408252046810.atom
making animated gifs
11 models are in 2404021408252046810.9.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 2404021408252046810.9.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 2404021408252046810.9.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
getting mode 10
running: ../../bin/get_modes.sh 2404021408252046810 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404021408252046810.eigenfacs
2404021408252046810.atom
calculating perturbed structure for DQ=-80
2404021408252046810.eigenfacs
2404021408252046810.atom
calculating perturbed structure for DQ=-60
2404021408252046810.eigenfacs
2404021408252046810.atom
calculating perturbed structure for DQ=-40
2404021408252046810.eigenfacs
2404021408252046810.atom
calculating perturbed structure for DQ=-20
2404021408252046810.eigenfacs
2404021408252046810.atom
calculating perturbed structure for DQ=0
2404021408252046810.eigenfacs
2404021408252046810.atom
calculating perturbed structure for DQ=20
2404021408252046810.eigenfacs
2404021408252046810.atom
calculating perturbed structure for DQ=40
2404021408252046810.eigenfacs
2404021408252046810.atom
calculating perturbed structure for DQ=60
2404021408252046810.eigenfacs
2404021408252046810.atom
calculating perturbed structure for DQ=80
2404021408252046810.eigenfacs
2404021408252046810.atom
calculating perturbed structure for DQ=100
2404021408252046810.eigenfacs
2404021408252046810.atom
making animated gifs
11 models are in 2404021408252046810.10.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 2404021408252046810.10.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 2404021408252046810.10.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
getting mode 11
running: ../../bin/get_modes.sh 2404021408252046810 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404021408252046810.eigenfacs
2404021408252046810.atom
calculating perturbed structure for DQ=-80
2404021408252046810.eigenfacs
2404021408252046810.atom
calculating perturbed structure for DQ=-60
2404021408252046810.eigenfacs
2404021408252046810.atom
calculating perturbed structure for DQ=-40
2404021408252046810.eigenfacs
2404021408252046810.atom
calculating perturbed structure for DQ=-20
2404021408252046810.eigenfacs
2404021408252046810.atom
calculating perturbed structure for DQ=0
2404021408252046810.eigenfacs
2404021408252046810.atom
calculating perturbed structure for DQ=20
2404021408252046810.eigenfacs
2404021408252046810.atom
calculating perturbed structure for DQ=40
2404021408252046810.eigenfacs
2404021408252046810.atom
calculating perturbed structure for DQ=60
2404021408252046810.eigenfacs
2404021408252046810.atom
calculating perturbed structure for DQ=80
2404021408252046810.eigenfacs
2404021408252046810.atom
calculating perturbed structure for DQ=100
2404021408252046810.eigenfacs
2404021408252046810.atom
making animated gifs
11 models are in 2404021408252046810.11.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 2404021408252046810.11.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 2404021408252046810.11.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
2404021408252046810.10.pdb
2404021408252046810.11.pdb
2404021408252046810.7.pdb
2404021408252046810.8.pdb
2404021408252046810.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m9.095s
user 0m9.047s
sys 0m0.040s
../../bin/check_modes: error while loading shared libraries: libgfortran.so.3: cannot open shared object file: No such file or directory
mv: cannot stat 'Chkmod.res': No such file or directory
cat: 2404021408252046810.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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