*** CALCIUM-BINDING PROTEIN 18-OCT-95 1CFD ***
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 = 2402110755322363397.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 2402110755322363397.atom to be opened.
Openam> File opened: 2402110755322363397.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 = 148
First residue number = 1
Last residue number = 148
Number of atoms found = 2262
Mean number per residue = 15.3
Pdbmat> Coordinate statistics:
= 11.989721 +/- 14.032767 From: -16.699000 To: 37.832000
= 10.697413 +/- 13.024567 From: -17.097000 To: 38.836000
= -2.188762 +/- 6.269502 From: -19.310000 To: 15.475000
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 6.1823 % Filled.
Pdbmat> 1423669 non-zero elements.
Pdbmat> 156708 atom-atom interactions.
Pdbmat> Number per atom= 138.56 +/- 48.56
Maximum number = 264
Minimum number = 22
Pdbmat> Matrix trace = 3.134160E+06
Pdbmat> Larger element = 931.340
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
148 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 = 2402110755322363397.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 2402110755322363397.atom to be opened.
Openam> file on opening on unit 11:
2402110755322363397.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 2262 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> 148 residues.
Blocpdb> 12 atoms in block 1
Block first atom: 1
Blocpdb> 12 atoms in block 2
Block first atom: 13
Blocpdb> 17 atoms in block 3
Block first atom: 25
Blocpdb> 19 atoms in block 4
Block first atom: 42
Blocpdb> 14 atoms in block 5
Block first atom: 61
Blocpdb> 15 atoms in block 6
Block first atom: 75
Blocpdb> 15 atoms in block 7
Block first atom: 90
Blocpdb> 17 atoms in block 8
Block first atom: 105
Blocpdb> 19 atoms in block 9
Block first atom: 122
Blocpdb> 10 atoms in block 10
Block first atom: 141
Blocpdb> 15 atoms in block 11
Block first atom: 151
Blocpdb> 20 atoms in block 12
Block first atom: 166
Blocpdb> 22 atoms in block 13
Block first atom: 186
Blocpdb> 15 atoms in block 14
Block first atom: 208
Blocpdb> 10 atoms in block 15
Block first atom: 223
Blocpdb> 20 atoms in block 16
Block first atom: 233
Blocpdb> 11 atoms in block 17
Block first atom: 253
Blocpdb> 19 atoms in block 18
Block first atom: 264
Blocpdb> 20 atoms in block 19
Block first atom: 283
Blocpdb> 12 atoms in block 20
Block first atom: 303
Blocpdb> 22 atoms in block 21
Block first atom: 315
Blocpdb> 12 atoms in block 22
Block first atom: 337
Blocpdb> 7 atoms in block 23
Block first atom: 349
Blocpdb> 12 atoms in block 24
Block first atom: 356
Blocpdb> 7 atoms in block 25
Block first atom: 368
Blocpdb> 14 atoms in block 26
Block first atom: 375
Blocpdb> 19 atoms in block 27
Block first atom: 389
Blocpdb> 14 atoms in block 28
Block first atom: 408
Blocpdb> 14 atoms in block 29
Block first atom: 422
Blocpdb> 22 atoms in block 30
Block first atom: 436
Blocpdb> 15 atoms in block 31
Block first atom: 458
Blocpdb> 19 atoms in block 32
Block first atom: 473
Blocpdb> 7 atoms in block 33
Block first atom: 492
Blocpdb> 14 atoms in block 34
Block first atom: 499
Blocpdb> 16 atoms in block 35
Block first atom: 513
Blocpdb> 17 atoms in block 36
Block first atom: 529
Blocpdb> 24 atoms in block 37
Block first atom: 546
Blocpdb> 11 atoms in block 38
Block first atom: 570
Blocpdb> 19 atoms in block 39
Block first atom: 581
Blocpdb> 7 atoms in block 40
Block first atom: 600
Blocpdb> 17 atoms in block 41
Block first atom: 607
Blocpdb> 14 atoms in block 42
Block first atom: 624
Blocpdb> 14 atoms in block 43
Block first atom: 638
Blocpdb> 14 atoms in block 44
Block first atom: 652
Blocpdb> 15 atoms in block 45
Block first atom: 666
Blocpdb> 10 atoms in block 46
Block first atom: 681
Blocpdb> 15 atoms in block 47
Block first atom: 691
Blocpdb> 19 atoms in block 48
Block first atom: 706
Blocpdb> 17 atoms in block 49
Block first atom: 725
Blocpdb> 12 atoms in block 50
Block first atom: 742
Blocpdb> 17 atoms in block 51
Block first atom: 754
Blocpdb> 19 atoms in block 52
Block first atom: 771
Blocpdb> 14 atoms in block 53
Block first atom: 790
Blocpdb> 15 atoms in block 54
Block first atom: 804
Blocpdb> 16 atoms in block 55
Block first atom: 819
Blocpdb> 12 atoms in block 56
Block first atom: 835
Blocpdb> 10 atoms in block 57
Block first atom: 847
Blocpdb> 12 atoms in block 58
Block first atom: 857
Blocpdb> 7 atoms in block 59
Block first atom: 869
Blocpdb> 14 atoms in block 60
Block first atom: 876
Blocpdb> 7 atoms in block 61
Block first atom: 890
Blocpdb> 14 atoms in block 62
Block first atom: 897
Blocpdb> 19 atoms in block 63
Block first atom: 911
Blocpdb> 12 atoms in block 64
Block first atom: 930
Blocpdb> 20 atoms in block 65
Block first atom: 942
Blocpdb> 14 atoms in block 66
Block first atom: 962
Blocpdb> 15 atoms in block 67
Block first atom: 976
Blocpdb> 20 atoms in block 68
Block first atom: 991
Blocpdb> 19 atoms in block 69
Block first atom: 1011
Blocpdb> 14 atoms in block 70
Block first atom: 1030
Blocpdb> 17 atoms in block 71
Block first atom: 1044
Blocpdb> 17 atoms in block 72
Block first atom: 1061
Blocpdb> 10 atoms in block 73
Block first atom: 1078
Blocpdb> 24 atoms in block 74
Block first atom: 1088
Blocpdb> 22 atoms in block 75
Block first atom: 1112
Blocpdb> 17 atoms in block 76
Block first atom: 1134
Blocpdb> 22 atoms in block 77
Block first atom: 1151
Blocpdb> 12 atoms in block 78
Block first atom: 1173
Blocpdb> 14 atoms in block 79
Block first atom: 1185
Blocpdb> 12 atoms in block 80
Block first atom: 1199
Blocpdb> 11 atoms in block 81
Block first atom: 1211
Blocpdb> 15 atoms in block 82
Block first atom: 1222
Blocpdb> 15 atoms in block 83
Block first atom: 1237
Blocpdb> 15 atoms in block 84
Block first atom: 1252
Blocpdb> 19 atoms in block 85
Block first atom: 1267
Blocpdb> 24 atoms in block 86
Block first atom: 1286
Blocpdb> 15 atoms in block 87
Block first atom: 1310
Blocpdb> 10 atoms in block 88
Block first atom: 1325
Blocpdb> 20 atoms in block 89
Block first atom: 1335
Blocpdb> 24 atoms in block 90
Block first atom: 1355
Blocpdb> 16 atoms in block 91
Block first atom: 1379
Blocpdb> 20 atoms in block 92
Block first atom: 1395
Blocpdb> 12 atoms in block 93
Block first atom: 1415
Blocpdb> 22 atoms in block 94
Block first atom: 1427
Blocpdb> 12 atoms in block 95
Block first atom: 1449
Blocpdb> 7 atoms in block 96
Block first atom: 1461
Blocpdb> 14 atoms in block 97
Block first atom: 1468
Blocpdb> 7 atoms in block 98
Block first atom: 1482
Blocpdb> 21 atoms in block 99
Block first atom: 1489
Blocpdb> 19 atoms in block 100
Block first atom: 1510
Blocpdb> 11 atoms in block 101
Block first atom: 1529
Blocpdb> 10 atoms in block 102
Block first atom: 1540
Blocpdb> 10 atoms in block 103
Block first atom: 1550
Blocpdb> 15 atoms in block 104
Block first atom: 1560
Blocpdb> 19 atoms in block 105
Block first atom: 1575
Blocpdb> 24 atoms in block 106
Block first atom: 1594
Blocpdb> 17 atoms in block 107
Block first atom: 1618
Blocpdb> 16 atoms in block 108
Block first atom: 1635
Blocpdb> 17 atoms in block 109
Block first atom: 1651
Blocpdb> 14 atoms in block 110
Block first atom: 1668
Blocpdb> 14 atoms in block 111
Block first atom: 1682
Blocpdb> 19 atoms in block 112
Block first atom: 1696
Blocpdb> 7 atoms in block 113
Block first atom: 1715
Blocpdb> 15 atoms in block 114
Block first atom: 1722
Blocpdb> 22 atoms in block 115
Block first atom: 1737
Blocpdb> 19 atoms in block 116
Block first atom: 1759
Blocpdb> 14 atoms in block 117
Block first atom: 1778
Blocpdb> 12 atoms in block 118
Block first atom: 1792
Blocpdb> 15 atoms in block 119
Block first atom: 1804
Blocpdb> 15 atoms in block 120
Block first atom: 1819
Blocpdb> 16 atoms in block 121
Block first atom: 1834
Blocpdb> 12 atoms in block 122
Block first atom: 1850
Blocpdb> 15 atoms in block 123
Block first atom: 1862
Blocpdb> 17 atoms in block 124
Block first atom: 1877
Blocpdb> 19 atoms in block 125
Block first atom: 1894
Blocpdb> 24 atoms in block 126
Block first atom: 1913
Blocpdb> 15 atoms in block 127
Block first atom: 1937
Blocpdb> 10 atoms in block 128
Block first atom: 1952
Blocpdb> 12 atoms in block 129
Block first atom: 1962
Blocpdb> 19 atoms in block 130
Block first atom: 1974
Blocpdb> 12 atoms in block 131
Block first atom: 1993
Blocpdb> 7 atoms in block 132
Block first atom: 2005
Blocpdb> 12 atoms in block 133
Block first atom: 2012
Blocpdb> 7 atoms in block 134
Block first atom: 2024
Blocpdb> 17 atoms in block 135
Block first atom: 2031
Blocpdb> 16 atoms in block 136
Block first atom: 2048
Blocpdb> 14 atoms in block 137
Block first atom: 2064
Blocpdb> 21 atoms in block 138
Block first atom: 2078
Blocpdb> 15 atoms in block 139
Block first atom: 2099
Blocpdb> 15 atoms in block 140
Block first atom: 2114
Blocpdb> 20 atoms in block 141
Block first atom: 2129
Blocpdb> 16 atoms in block 142
Block first atom: 2149
Blocpdb> 17 atoms in block 143
Block first atom: 2165
Blocpdb> 17 atoms in block 144
Block first atom: 2182
Blocpdb> 17 atoms in block 145
Block first atom: 2199
Blocpdb> 14 atoms in block 146
Block first atom: 2216
Blocpdb> 10 atoms in block 147
Block first atom: 2230
Blocpdb> 23 atoms in block 148
Block first atom: 2239
Blocpdb> 148 blocks.
Blocpdb> At most, 24 atoms in each of them.
Blocpdb> At least, 7 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> 1423817 matrix lines read.
Prepmat> Matrix order = 6786
Prepmat> Matrix trace = 3134160.0000
Prepmat> Last element read: 6786 6786 433.1910
Prepmat> 11027 lines saved.
Prepmat> 9194 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: 2262
RTB> Total mass = 2262.0000
RTB> Number of atoms found in matrix: 2262
RTB> Number of blocks = 148
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 358596.6810
RTB> 63732 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 = 888
Diagstd> Nb of non-zero elements: 63732
Diagstd> Projected matrix trace = 358596.6810
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 888 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 358596.6810
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 0.4508689 0.6453917 1.1576379 5.1414059
5.4510044 6.5885800 15.3513020 17.0896878 19.2092347
22.8220423 23.7842894 25.0595118 27.0849858 27.6088690
29.0140096 30.1312494 32.0698443 33.3493435 36.1893725
37.3913139 38.6737435 39.7566144 41.1724943 43.0543587
43.4485384 45.8917053 48.3049728 49.0779404 50.5436595
53.7361630 54.7676766 56.2447545 57.4437806 58.5717552
59.6655675 61.8162156 63.9667631 64.6439915 66.2699684
68.5960629 70.2533242 70.6317073 72.2348995 75.5211037
76.0119625 77.6384482 79.0646106 79.2334218 80.4032971
81.8183507 82.8935587 84.7887944 85.9821103 86.2669319
88.1599937 89.4801052 90.3915496 92.7145620 94.3422119
94.7602128 97.1010321 98.3761565 100.2190310 102.5732675
103.2750634 104.6928889 105.8334576 106.4006232 106.4538407
109.0363383 110.3323874 114.0386319 116.0252288 116.7971181
117.4815024 119.2085505 123.3234418 124.1743500 125.3598191
127.0984786 127.9045343 129.2593715 130.0505954 131.0533672
132.7216742 134.4537511 137.1042126 138.1802922 139.7457932
141.4208795 141.9882735 142.5404968 144.4106544 145.1313050
146.5190387 147.1188943 148.0180740 149.1780136 149.8951965
151.2280642
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034309 0.0034324 0.0034325 0.0034330 0.0034331
0.0034347 72.9155932 87.2382514 116.8373377 246.2273135
253.5324458 278.7347986 425.4689659 448.9131679 475.9379239
518.7672282 529.5907252 543.6026728 565.1446054 570.5839987
584.9236148 596.0790387 614.9555223 627.1030673 653.2596093
664.0192095 675.3103202 684.6994467 696.7851226 712.5311292
715.7854497 735.6349908 754.7292842 760.7438408 772.0201254
796.0284809 803.6324021 814.3972398 823.0321260 831.0734334
838.7975783 853.7810030 868.5052892 873.0907005 884.0028438
899.3834162 910.1830001 912.6308227 922.9301140 943.6901987
946.7520472 956.8276205 965.5757461 966.6059994 973.7157825
982.2468406 988.6798266 999.9182855 1006.9301160 1008.5964994
1019.6028845 1027.2083082 1032.4266253 1045.6088629 1054.7470210
1057.0810661 1070.0577167 1077.0607648 1087.1022131 1099.7966067
1103.5525421 1111.1018539 1117.1378657 1120.1272588 1120.4073459
1133.9160681 1140.6352483 1159.6349061 1169.6919391 1173.5763359
1177.0096570 1185.6294655 1205.9188914 1210.0720450 1215.8344892
1224.2368741 1228.1127797 1234.6000784 1238.3729375 1243.1380862
1251.0256264 1259.1623859 1271.5126338 1276.4926946 1283.7032826
1291.3740264 1293.9619910 1296.4757992 1304.9530844 1308.2050776
1314.4446725 1317.1326222 1321.1515989 1326.3180813 1329.5024384
1335.4003225
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 2262
Rtb_to_modes> Number of blocs = 148
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: 9.9820E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9908E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9913E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9945E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 9.9951E-10
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0004E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 0.4509
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.6454
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 1.158
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 5.141
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 5.451
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 6.589
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 15.35
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 17.09
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 19.21
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 22.82
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 23.78
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 25.06
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 27.08
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 27.61
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 29.01
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 30.13
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 32.07
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 33.35
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 36.19
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 37.39
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 38.67
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 39.76
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 41.17
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 43.05
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 43.45
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 45.89
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 48.30
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 49.08
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 50.54
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 53.74
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 54.77
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 56.24
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 57.44
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 58.57
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 59.67
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 61.82
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 63.97
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 64.64
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 66.27
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 68.60
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 70.25
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 70.63
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 72.23
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 75.52
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 76.01
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 77.64
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 79.06
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 79.23
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 80.40
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 81.82
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 82.89
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 84.79
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 85.98
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 86.27
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 88.16
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 89.48
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 90.39
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 92.71
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 94.34
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 94.76
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 97.10
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 98.38
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 100.2
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 102.6
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 103.3
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 104.7
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 105.8
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 106.4
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 106.5
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 109.0
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 110.3
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 114.0
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 116.0
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 116.8
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 117.5
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 119.2
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 123.3
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 124.2
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 125.4
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 127.1
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 127.9
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 129.3
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 130.1
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 131.1
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 132.7
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 134.5
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 137.1
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 138.2
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 139.7
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 141.4
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 142.0
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 142.5
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 144.4
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 145.1
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 146.5
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 147.1
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 148.0
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 149.2
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 149.9
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 151.2
Rtb_to_modes> 106 vectors, with 888 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 1.00000 1.00000 0.99999 1.00000
1.00000 0.99999 1.00000 0.99999 0.99999
1.00000 1.00001 1.00001 1.00000 1.00001
1.00003 0.99997 0.99996 1.00000 1.00001
1.00002 1.00001 0.99998 0.99997 1.00001
1.00002 1.00002 0.99999 0.99998 0.99999
0.99998 1.00001 0.99998 1.00003 1.00001
0.99999 1.00000 1.00000 1.00000 1.00001
1.00002 0.99996 1.00001 1.00000 1.00001
0.99997 1.00000 0.99998 0.99998 0.99995
0.99997 1.00000 1.00001 1.00001 1.00002
0.99998 0.99999 1.00000 1.00000 1.00003
1.00001 1.00003 0.99998 1.00004 1.00000
1.00002 0.99999 1.00002 1.00000 1.00001
1.00001 0.99999 1.00000 1.00000 0.99999
1.00001 0.99998 1.00001 1.00002 0.99999
1.00000 0.99998 1.00000 0.99999 0.99997
0.99999 0.99999 0.99999 0.99999 1.00000
1.00000 1.00000 1.00000 0.99999 1.00003
1.00001 1.00003 1.00000 1.00000 0.99996
0.99998 0.99999 1.00002 1.00002 0.99999
1.00002
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 40716 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 1.00000 1.00000 0.99999 1.00000
1.00000 0.99999 1.00000 0.99999 0.99999
1.00000 1.00001 1.00001 1.00000 1.00001
1.00003 0.99997 0.99996 1.00000 1.00001
1.00002 1.00001 0.99998 0.99997 1.00001
1.00002 1.00002 0.99999 0.99998 0.99999
0.99998 1.00001 0.99998 1.00003 1.00001
0.99999 1.00000 1.00000 1.00000 1.00001
1.00002 0.99996 1.00001 1.00000 1.00001
0.99997 1.00000 0.99998 0.99998 0.99995
0.99997 1.00000 1.00001 1.00001 1.00002
0.99998 0.99999 1.00000 1.00000 1.00003
1.00001 1.00003 0.99998 1.00004 1.00000
1.00002 0.99999 1.00002 1.00000 1.00001
1.00001 0.99999 1.00000 1.00000 0.99999
1.00001 0.99998 1.00001 1.00002 0.99999
1.00000 0.99998 1.00000 0.99999 0.99997
0.99999 0.99999 0.99999 0.99999 1.00000
1.00000 1.00000 1.00000 0.99999 1.00003
1.00001 1.00003 1.00000 1.00000 0.99996
0.99998 0.99999 1.00002 1.00002 0.99999
1.00002
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> 2402110755322363397.eigenfacs
Openam> file on opening on unit 10:
2402110755322363397.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2402110755322363397.atom
Openam> file on opening on unit 11:
2402110755322363397.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 = 148
First residue number = 1
Last residue number = 148
Number of atoms found = 2262
Mean number per residue = 15.3
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9820E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9908E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9913E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9945E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9951E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0004E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4509
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6454
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 1.158
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 5.141
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 5.451
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 6.589
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 15.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 17.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 19.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 22.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 23.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 25.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 27.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 27.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 29.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 30.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 32.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 33.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 36.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 37.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 38.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 39.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 41.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 43.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 43.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 45.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 48.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 49.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 50.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 53.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 54.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 56.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 57.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 58.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 59.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 61.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 63.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 64.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 66.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 68.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 70.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 70.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 72.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 75.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 76.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 77.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 79.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 79.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 80.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 81.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 82.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 84.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 85.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 86.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 88.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 89.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 90.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 92.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 94.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 94.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 97.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 98.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 100.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 102.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 103.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 104.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 105.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 106.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 106.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 109.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 110.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 114.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 116.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 116.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 117.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 119.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 123.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 124.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 125.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 127.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 127.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 129.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 130.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 131.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 132.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 134.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 137.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 138.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 139.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 141.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 142.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 142.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 144.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 145.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 146.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 147.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 148.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 149.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 149.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 151.2
Bfactors> 106 vectors, 6786 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 : 0.450900
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= 0.455 for 148 C-alpha atoms.
Bfactors> = 0.042 +/- 0.02
Bfactors> = 0.497 +/- 0.43
Bfactors> Shiftng-fct= 0.455
Bfactors> Scaling-fct= 17.196
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2402110755322363397 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2402110755322363397.eigenfacs
2402110755322363397.atom
calculating perturbed structure for DQ=-80
2402110755322363397.eigenfacs
2402110755322363397.atom
calculating perturbed structure for DQ=-60
2402110755322363397.eigenfacs
2402110755322363397.atom
calculating perturbed structure for DQ=-40
2402110755322363397.eigenfacs
2402110755322363397.atom
calculating perturbed structure for DQ=-20
2402110755322363397.eigenfacs
2402110755322363397.atom
calculating perturbed structure for DQ=0
2402110755322363397.eigenfacs
2402110755322363397.atom
calculating perturbed structure for DQ=20
2402110755322363397.eigenfacs
2402110755322363397.atom
calculating perturbed structure for DQ=40
2402110755322363397.eigenfacs
2402110755322363397.atom
calculating perturbed structure for DQ=60
2402110755322363397.eigenfacs
2402110755322363397.atom
calculating perturbed structure for DQ=80
2402110755322363397.eigenfacs
2402110755322363397.atom
calculating perturbed structure for DQ=100
2402110755322363397.eigenfacs
2402110755322363397.atom
making animated gifs
11 models are in 2402110755322363397.7.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 2402110755322363397.7.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 2402110755322363397.7.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 2402110755322363397 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2402110755322363397.eigenfacs
2402110755322363397.atom
calculating perturbed structure for DQ=-80
2402110755322363397.eigenfacs
2402110755322363397.atom
calculating perturbed structure for DQ=-60
2402110755322363397.eigenfacs
2402110755322363397.atom
calculating perturbed structure for DQ=-40
2402110755322363397.eigenfacs
2402110755322363397.atom
calculating perturbed structure for DQ=-20
2402110755322363397.eigenfacs
2402110755322363397.atom
calculating perturbed structure for DQ=0
2402110755322363397.eigenfacs
2402110755322363397.atom
calculating perturbed structure for DQ=20
2402110755322363397.eigenfacs
2402110755322363397.atom
calculating perturbed structure for DQ=40
2402110755322363397.eigenfacs
2402110755322363397.atom
calculating perturbed structure for DQ=60
2402110755322363397.eigenfacs
2402110755322363397.atom
calculating perturbed structure for DQ=80
2402110755322363397.eigenfacs
2402110755322363397.atom
calculating perturbed structure for DQ=100
2402110755322363397.eigenfacs
2402110755322363397.atom
making animated gifs
11 models are in 2402110755322363397.8.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 2402110755322363397.8.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 2402110755322363397.8.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 2402110755322363397 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2402110755322363397.eigenfacs
2402110755322363397.atom
calculating perturbed structure for DQ=-80
2402110755322363397.eigenfacs
2402110755322363397.atom
calculating perturbed structure for DQ=-60
2402110755322363397.eigenfacs
2402110755322363397.atom
calculating perturbed structure for DQ=-40
2402110755322363397.eigenfacs
2402110755322363397.atom
calculating perturbed structure for DQ=-20
2402110755322363397.eigenfacs
2402110755322363397.atom
calculating perturbed structure for DQ=0
2402110755322363397.eigenfacs
2402110755322363397.atom
calculating perturbed structure for DQ=20
2402110755322363397.eigenfacs
2402110755322363397.atom
calculating perturbed structure for DQ=40
2402110755322363397.eigenfacs
2402110755322363397.atom
calculating perturbed structure for DQ=60
2402110755322363397.eigenfacs
2402110755322363397.atom
calculating perturbed structure for DQ=80
2402110755322363397.eigenfacs
2402110755322363397.atom
calculating perturbed structure for DQ=100
2402110755322363397.eigenfacs
2402110755322363397.atom
making animated gifs
11 models are in 2402110755322363397.9.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 2402110755322363397.9.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 2402110755322363397.9.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 2402110755322363397 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2402110755322363397.eigenfacs
2402110755322363397.atom
calculating perturbed structure for DQ=-80
2402110755322363397.eigenfacs
2402110755322363397.atom
calculating perturbed structure for DQ=-60
2402110755322363397.eigenfacs
2402110755322363397.atom
calculating perturbed structure for DQ=-40
2402110755322363397.eigenfacs
2402110755322363397.atom
calculating perturbed structure for DQ=-20
2402110755322363397.eigenfacs
2402110755322363397.atom
calculating perturbed structure for DQ=0
2402110755322363397.eigenfacs
2402110755322363397.atom
calculating perturbed structure for DQ=20
2402110755322363397.eigenfacs
2402110755322363397.atom
calculating perturbed structure for DQ=40
2402110755322363397.eigenfacs
2402110755322363397.atom
calculating perturbed structure for DQ=60
2402110755322363397.eigenfacs
2402110755322363397.atom
calculating perturbed structure for DQ=80
2402110755322363397.eigenfacs
2402110755322363397.atom
calculating perturbed structure for DQ=100
2402110755322363397.eigenfacs
2402110755322363397.atom
making animated gifs
11 models are in 2402110755322363397.10.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 2402110755322363397.10.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 2402110755322363397.10.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 2402110755322363397 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2402110755322363397.eigenfacs
2402110755322363397.atom
calculating perturbed structure for DQ=-80
2402110755322363397.eigenfacs
2402110755322363397.atom
calculating perturbed structure for DQ=-60
2402110755322363397.eigenfacs
2402110755322363397.atom
calculating perturbed structure for DQ=-40
2402110755322363397.eigenfacs
2402110755322363397.atom
calculating perturbed structure for DQ=-20
2402110755322363397.eigenfacs
2402110755322363397.atom
calculating perturbed structure for DQ=0
2402110755322363397.eigenfacs
2402110755322363397.atom
calculating perturbed structure for DQ=20
2402110755322363397.eigenfacs
2402110755322363397.atom
calculating perturbed structure for DQ=40
2402110755322363397.eigenfacs
2402110755322363397.atom
calculating perturbed structure for DQ=60
2402110755322363397.eigenfacs
2402110755322363397.atom
calculating perturbed structure for DQ=80
2402110755322363397.eigenfacs
2402110755322363397.atom
calculating perturbed structure for DQ=100
2402110755322363397.eigenfacs
2402110755322363397.atom
making animated gifs
11 models are in 2402110755322363397.11.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 2402110755322363397.11.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 2402110755322363397.11.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
2402110755322363397.10.pdb
2402110755322363397.11.pdb
2402110755322363397.7.pdb
2402110755322363397.8.pdb
2402110755322363397.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m11.985s
user 0m11.925s
sys 0m0.060s
../../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: 2402110755322363397.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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