*** Xilanase_model-Aalphafold_complete ***
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 = 2404070639312775027.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 2404070639312775027.atom to be opened.
Openam> File opened: 2404070639312775027.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 = 584
First residue number = 1
Last residue number = 584
Number of atoms found = 4589
Mean number per residue = 7.9
Pdbmat> Coordinate statistics:
= -4.169946 +/- 17.723556 From: -62.026000 To: 26.850000
= 1.616767 +/- 15.309894 From: -31.446000 To: 77.766000
= 0.628834 +/- 17.283415 From: -40.318000 To: 35.237000
Pdbmat> Masses are all set to one.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijb
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 1.8219 % Filled.
Pdbmat> 1726694 non-zero elements.
Pdbmat> 188830 atom-atom interactions.
Pdbmat> Number per atom= 82.30 +/- 25.35
Maximum number = 135
Minimum number = 10
Pdbmat> Matrix trace = 3.776600E+06
Pdbmat> Larger element = 499.261
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
584 non-zero elements, NRBL set to 3
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 = 2404070639312775027.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 3
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 2404070639312775027.atom to be opened.
Openam> file on opening on unit 11:
2404070639312775027.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 4589 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 3 residue(s) per block.
Blocpdb> 584 residues.
Blocpdb> 25 atoms in block 1
Block first atom: 1
Blocpdb> 22 atoms in block 2
Block first atom: 26
Blocpdb> 25 atoms in block 3
Block first atom: 48
Blocpdb> 34 atoms in block 4
Block first atom: 73
Blocpdb> 23 atoms in block 5
Block first atom: 107
Blocpdb> 27 atoms in block 6
Block first atom: 130
Blocpdb> 21 atoms in block 7
Block first atom: 157
Blocpdb> 22 atoms in block 8
Block first atom: 178
Blocpdb> 24 atoms in block 9
Block first atom: 200
Blocpdb> 21 atoms in block 10
Block first atom: 224
Blocpdb> 26 atoms in block 11
Block first atom: 245
Blocpdb> 24 atoms in block 12
Block first atom: 271
Blocpdb> 23 atoms in block 13
Block first atom: 295
Blocpdb> 23 atoms in block 14
Block first atom: 318
Blocpdb> 24 atoms in block 15
Block first atom: 341
Blocpdb> 23 atoms in block 16
Block first atom: 365
Blocpdb> 20 atoms in block 17
Block first atom: 388
Blocpdb> 20 atoms in block 18
Block first atom: 408
Blocpdb> 22 atoms in block 19
Block first atom: 428
Blocpdb> 25 atoms in block 20
Block first atom: 450
Blocpdb> 21 atoms in block 21
Block first atom: 475
Blocpdb> 27 atoms in block 22
Block first atom: 496
Blocpdb> 24 atoms in block 23
Block first atom: 523
Blocpdb> 17 atoms in block 24
Block first atom: 547
Blocpdb> 26 atoms in block 25
Block first atom: 564
Blocpdb> 28 atoms in block 26
Block first atom: 590
Blocpdb> 15 atoms in block 27
Block first atom: 618
Blocpdb> 25 atoms in block 28
Block first atom: 633
Blocpdb> 20 atoms in block 29
Block first atom: 658
Blocpdb> 28 atoms in block 30
Block first atom: 678
Blocpdb> 22 atoms in block 31
Block first atom: 706
Blocpdb> 24 atoms in block 32
Block first atom: 728
Blocpdb> 22 atoms in block 33
Block first atom: 752
Blocpdb> 27 atoms in block 34
Block first atom: 774
Blocpdb> 23 atoms in block 35
Block first atom: 801
Blocpdb> 25 atoms in block 36
Block first atom: 824
Blocpdb> 30 atoms in block 37
Block first atom: 849
Blocpdb> 25 atoms in block 38
Block first atom: 879
Blocpdb> 26 atoms in block 39
Block first atom: 904
Blocpdb> 19 atoms in block 40
Block first atom: 930
Blocpdb> 23 atoms in block 41
Block first atom: 949
Blocpdb> 21 atoms in block 42
Block first atom: 972
Blocpdb> 28 atoms in block 43
Block first atom: 993
Blocpdb> 22 atoms in block 44
Block first atom: 1021
Blocpdb> 25 atoms in block 45
Block first atom: 1043
Blocpdb> 21 atoms in block 46
Block first atom: 1068
Blocpdb> 19 atoms in block 47
Block first atom: 1089
Blocpdb> 20 atoms in block 48
Block first atom: 1108
Blocpdb> 28 atoms in block 49
Block first atom: 1128
Blocpdb> 22 atoms in block 50
Block first atom: 1156
Blocpdb> 17 atoms in block 51
Block first atom: 1178
Blocpdb> 22 atoms in block 52
Block first atom: 1195
Blocpdb> 19 atoms in block 53
Block first atom: 1217
Blocpdb> 16 atoms in block 54
Block first atom: 1236
Blocpdb> 29 atoms in block 55
Block first atom: 1252
Blocpdb> 27 atoms in block 56
Block first atom: 1281
Blocpdb> 23 atoms in block 57
Block first atom: 1308
Blocpdb> 22 atoms in block 58
Block first atom: 1331
Blocpdb> 30 atoms in block 59
Block first atom: 1353
Blocpdb> 22 atoms in block 60
Block first atom: 1383
Blocpdb> 23 atoms in block 61
Block first atom: 1405
Blocpdb> 25 atoms in block 62
Block first atom: 1428
Blocpdb> 27 atoms in block 63
Block first atom: 1453
Blocpdb> 29 atoms in block 64
Block first atom: 1480
Blocpdb> 27 atoms in block 65
Block first atom: 1509
Blocpdb> 23 atoms in block 66
Block first atom: 1536
Blocpdb> 26 atoms in block 67
Block first atom: 1559
Blocpdb> 29 atoms in block 68
Block first atom: 1585
Blocpdb> 26 atoms in block 69
Block first atom: 1614
Blocpdb> 22 atoms in block 70
Block first atom: 1640
Blocpdb> 24 atoms in block 71
Block first atom: 1662
Blocpdb> 20 atoms in block 72
Block first atom: 1686
Blocpdb> 22 atoms in block 73
Block first atom: 1706
Blocpdb> 22 atoms in block 74
Block first atom: 1728
Blocpdb> 21 atoms in block 75
Block first atom: 1750
Blocpdb> 22 atoms in block 76
Block first atom: 1771
Blocpdb> 21 atoms in block 77
Block first atom: 1793
Blocpdb> 29 atoms in block 78
Block first atom: 1814
Blocpdb> 15 atoms in block 79
Block first atom: 1843
Blocpdb> 27 atoms in block 80
Block first atom: 1858
Blocpdb> 24 atoms in block 81
Block first atom: 1885
Blocpdb> 24 atoms in block 82
Block first atom: 1909
Blocpdb> 26 atoms in block 83
Block first atom: 1933
Blocpdb> 31 atoms in block 84
Block first atom: 1959
Blocpdb> 23 atoms in block 85
Block first atom: 1990
Blocpdb> 25 atoms in block 86
Block first atom: 2013
Blocpdb> 25 atoms in block 87
Block first atom: 2038
Blocpdb> 26 atoms in block 88
Block first atom: 2063
Blocpdb> 31 atoms in block 89
Block first atom: 2089
Blocpdb> 18 atoms in block 90
Block first atom: 2120
Blocpdb> 22 atoms in block 91
Block first atom: 2138
Blocpdb> 23 atoms in block 92
Block first atom: 2160
Blocpdb> 29 atoms in block 93
Block first atom: 2183
Blocpdb> 18 atoms in block 94
Block first atom: 2212
Blocpdb> 21 atoms in block 95
Block first atom: 2230
Blocpdb> 27 atoms in block 96
Block first atom: 2251
Blocpdb> 23 atoms in block 97
Block first atom: 2278
Blocpdb> 20 atoms in block 98
Block first atom: 2301
Blocpdb> 24 atoms in block 99
Block first atom: 2321
Blocpdb> 22 atoms in block 100
Block first atom: 2345
Blocpdb> 32 atoms in block 101
Block first atom: 2367
Blocpdb> 23 atoms in block 102
Block first atom: 2399
Blocpdb> 30 atoms in block 103
Block first atom: 2422
Blocpdb> 24 atoms in block 104
Block first atom: 2452
Blocpdb> 19 atoms in block 105
Block first atom: 2476
Blocpdb> 21 atoms in block 106
Block first atom: 2495
Blocpdb> 24 atoms in block 107
Block first atom: 2516
Blocpdb> 18 atoms in block 108
Block first atom: 2540
Blocpdb> 21 atoms in block 109
Block first atom: 2558
Blocpdb> 27 atoms in block 110
Block first atom: 2579
Blocpdb> 21 atoms in block 111
Block first atom: 2606
Blocpdb> 31 atoms in block 112
Block first atom: 2627
Blocpdb> 22 atoms in block 113
Block first atom: 2658
Blocpdb> 19 atoms in block 114
Block first atom: 2680
Blocpdb> 29 atoms in block 115
Block first atom: 2699
Blocpdb> 24 atoms in block 116
Block first atom: 2728
Blocpdb> 26 atoms in block 117
Block first atom: 2752
Blocpdb> 28 atoms in block 118
Block first atom: 2778
Blocpdb> 26 atoms in block 119
Block first atom: 2806
Blocpdb> 21 atoms in block 120
Block first atom: 2832
Blocpdb> 18 atoms in block 121
Block first atom: 2853
Blocpdb> 18 atoms in block 122
Block first atom: 2871
Blocpdb> 27 atoms in block 123
Block first atom: 2889
Blocpdb> 24 atoms in block 124
Block first atom: 2916
Blocpdb> 24 atoms in block 125
Block first atom: 2940
Blocpdb> 20 atoms in block 126
Block first atom: 2964
Blocpdb> 26 atoms in block 127
Block first atom: 2984
Blocpdb> 25 atoms in block 128
Block first atom: 3010
Blocpdb> 27 atoms in block 129
Block first atom: 3035
Blocpdb> 24 atoms in block 130
Block first atom: 3062
Blocpdb> 25 atoms in block 131
Block first atom: 3086
Blocpdb> 18 atoms in block 132
Block first atom: 3111
Blocpdb> 19 atoms in block 133
Block first atom: 3129
Blocpdb> 29 atoms in block 134
Block first atom: 3148
Blocpdb> 26 atoms in block 135
Block first atom: 3177
Blocpdb> 25 atoms in block 136
Block first atom: 3203
Blocpdb> 23 atoms in block 137
Block first atom: 3228
Blocpdb> 19 atoms in block 138
Block first atom: 3251
Blocpdb> 20 atoms in block 139
Block first atom: 3270
Blocpdb> 16 atoms in block 140
Block first atom: 3290
Blocpdb> 23 atoms in block 141
Block first atom: 3306
Blocpdb> 27 atoms in block 142
Block first atom: 3329
Blocpdb> 19 atoms in block 143
Block first atom: 3356
Blocpdb> 23 atoms in block 144
Block first atom: 3375
Blocpdb> 27 atoms in block 145
Block first atom: 3398
Blocpdb> 22 atoms in block 146
Block first atom: 3425
Blocpdb> 23 atoms in block 147
Block first atom: 3447
Blocpdb> 18 atoms in block 148
Block first atom: 3470
Blocpdb> 19 atoms in block 149
Block first atom: 3488
Blocpdb> 28 atoms in block 150
Block first atom: 3507
Blocpdb> 24 atoms in block 151
Block first atom: 3535
Blocpdb> 22 atoms in block 152
Block first atom: 3559
Blocpdb> 19 atoms in block 153
Block first atom: 3581
Blocpdb> 21 atoms in block 154
Block first atom: 3600
Blocpdb> 20 atoms in block 155
Block first atom: 3621
Blocpdb> 26 atoms in block 156
Block first atom: 3641
Blocpdb> 27 atoms in block 157
Block first atom: 3667
Blocpdb> 24 atoms in block 158
Block first atom: 3694
Blocpdb> 23 atoms in block 159
Block first atom: 3718
Blocpdb> 27 atoms in block 160
Block first atom: 3741
Blocpdb> 19 atoms in block 161
Block first atom: 3768
Blocpdb> 28 atoms in block 162
Block first atom: 3787
Blocpdb> 25 atoms in block 163
Block first atom: 3815
Blocpdb> 19 atoms in block 164
Block first atom: 3840
Blocpdb> 29 atoms in block 165
Block first atom: 3859
Blocpdb> 22 atoms in block 166
Block first atom: 3888
Blocpdb> 23 atoms in block 167
Block first atom: 3910
Blocpdb> 29 atoms in block 168
Block first atom: 3933
Blocpdb> 23 atoms in block 169
Block first atom: 3962
Blocpdb> 19 atoms in block 170
Block first atom: 3985
Blocpdb> 22 atoms in block 171
Block first atom: 4004
Blocpdb> 25 atoms in block 172
Block first atom: 4026
Blocpdb> 34 atoms in block 173
Block first atom: 4051
Blocpdb> 12 atoms in block 174
Block first atom: 4085
Blocpdb> 19 atoms in block 175
Block first atom: 4097
Blocpdb> 22 atoms in block 176
Block first atom: 4116
Blocpdb> 24 atoms in block 177
Block first atom: 4138
Blocpdb> 23 atoms in block 178
Block first atom: 4162
Blocpdb> 26 atoms in block 179
Block first atom: 4185
Blocpdb> 25 atoms in block 180
Block first atom: 4211
Blocpdb> 22 atoms in block 181
Block first atom: 4236
Blocpdb> 29 atoms in block 182
Block first atom: 4258
Blocpdb> 25 atoms in block 183
Block first atom: 4287
Blocpdb> 25 atoms in block 184
Block first atom: 4312
Blocpdb> 22 atoms in block 185
Block first atom: 4337
Blocpdb> 21 atoms in block 186
Block first atom: 4359
Blocpdb> 18 atoms in block 187
Block first atom: 4380
Blocpdb> 27 atoms in block 188
Block first atom: 4398
Blocpdb> 28 atoms in block 189
Block first atom: 4425
Blocpdb> 21 atoms in block 190
Block first atom: 4453
Blocpdb> 25 atoms in block 191
Block first atom: 4474
Blocpdb> 24 atoms in block 192
Block first atom: 4499
Blocpdb> 26 atoms in block 193
Block first atom: 4523
Blocpdb> 24 atoms in block 194
Block first atom: 4549
Blocpdb> 17 atoms in block 195
Block first atom: 4572
Blocpdb> 195 blocks.
Blocpdb> At most, 34 atoms in each of them.
Blocpdb> At least, 12 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> 1726889 matrix lines read.
Prepmat> Matrix order = 13767
Prepmat> Matrix trace = 3776600.0000
Prepmat> Last element read: 13767 13767 213.7430
Prepmat> 19111 lines saved.
Prepmat> 17151 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: 4589
RTB> Total mass = 4589.0000
RTB> Number of atoms found in matrix: 4589
RTB> Number of blocks = 195
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 252084.4495
RTB> 67599 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 = 1170
Diagstd> Nb of non-zero elements: 67599
Diagstd> Projected matrix trace = 252084.4495
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1170 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 252084.4495
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 0.0009140 0.0019763 0.0236968 0.0317006
0.0667924 0.0949698 0.2070715 0.2519736 0.4196964
0.4616508 0.5137534 0.6255397 0.9723757 1.2285648
1.3755315 1.5946438 1.8198636 2.0713738 2.1137820
2.1470191 2.6488486 2.8045321 3.7275086 4.2491568
4.7866347 5.0101514 5.2891581 5.5754006 5.8295650
6.3387138 6.8673854 7.2467312 7.4607768 7.8543384
8.1923843 8.5745106 10.0215099 10.3234733 10.3694199
10.7864342 11.8707674 12.0789170 12.8153872 13.0463627
13.4644199 13.7328537 14.0122261 14.4118236 14.7299696
15.3478437 15.8360730 16.8860028 17.1282452 17.8293483
18.0877525 18.7931092 18.9287627 19.5039293 20.2468713
21.1423428 22.2518185 22.7150462 22.9944203 23.5466011
23.9578383 24.6837792 25.0081467 26.1806354 26.5459057
27.2001249 28.5725309 29.1344665 30.0191340 30.3253198
30.4894324 31.3119574 31.8193910 32.0714301 32.2882753
33.2701326 33.6778164 33.9324119 34.5298204 34.8761092
35.1038149 35.1624343 35.4189074 35.9075159 36.1138678
36.7246133 37.3696906 37.9722240 38.3717406 39.1640270
39.4610053 39.7256324 40.7602976 41.4932027 42.3304665
42.7059087
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034328 0.0034329 0.0034337 0.0034339 0.0034340
0.0034354 3.2829458 4.8274672 16.7163121 19.3343269
28.0646020 33.4647852 49.4146172 54.5095711 70.3498098
73.7822790 77.8345912 85.8860647 107.0809768 120.3633616
127.3592666 137.1283093 146.4922686 156.2875989 157.8793669
159.1157718 176.7355237 181.8551021 209.6547025 223.8446192
237.5802973 243.0640356 249.7402566 256.4090314 262.1883292
273.3983259 284.5712306 292.3252684 296.6110354 304.3337268
310.8139044 317.9801071 343.7651607 348.9058085 349.6813835
356.6434319 374.1404616 377.4064150 388.7417144 392.2292738
398.4640130 402.4164046 406.4890475 412.2443853 416.7697658
425.4210395 432.1345874 446.2299433 449.4192971 458.5249944
461.8357886 470.7546281 472.4505877 479.5747817 488.6233780
499.3118063 512.2453620 517.5497371 520.7227031 526.9378478
531.5193690 539.5119978 543.0452685 555.6295975 559.4922222
566.3445555 580.4564427 586.1365656 594.9690300 597.9955809
599.6114949 607.6456442 612.5495309 614.9707270 617.0462316
626.3578812 630.1838114 632.5613393 638.1054300 641.2971272
643.3872326 643.9242004 646.2683096 650.7107191 652.5777799
658.0727324 663.8271813 669.1574192 672.6684062 679.5774368
682.1491664 684.4326050 693.2884314 699.4936221 706.5156842
709.6419228
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 4589
Rtb_to_modes> Number of blocs = 195
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: 9.9933E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9936E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9987E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9997E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0000E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0008E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 9.1398E-04
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 1.9763E-03
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 2.3697E-02
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 3.1701E-02
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 6.6792E-02
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 9.4970E-02
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 0.2071
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 0.2520
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 0.4197
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 0.4617
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 0.5138
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 0.6255
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 0.9724
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 1.229
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 1.376
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 1.595
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 1.820
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 2.071
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 2.114
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 2.147
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 2.649
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 2.805
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 3.728
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 4.249
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 4.787
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 5.010
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 5.289
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 5.575
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 5.830
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 6.339
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 6.867
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 7.247
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 7.461
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 7.854
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 8.192
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 8.575
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 10.02
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 10.32
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 10.37
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 10.79
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 11.87
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 12.08
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 12.82
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 13.05
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 13.46
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 13.73
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 14.01
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 14.41
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 14.73
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 15.35
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 15.84
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 16.89
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 17.13
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 17.83
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 18.09
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 18.79
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 18.93
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 19.50
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 20.25
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 21.14
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 22.25
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 22.72
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 22.99
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 23.55
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 23.96
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 24.68
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 25.01
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 26.18
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 26.55
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 27.20
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 28.57
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 29.13
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 30.02
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 30.33
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 30.49
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 31.31
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 31.82
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 32.07
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 32.29
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 33.27
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 33.68
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 33.93
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 34.53
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 34.88
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 35.10
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 35.16
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 35.42
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 35.91
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 36.11
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 36.72
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 37.37
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 37.97
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 38.37
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 39.16
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 39.46
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 39.73
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 40.76
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 41.49
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 42.33
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 42.71
Rtb_to_modes> 106 vectors, with 1170 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
0.99998 1.00000 1.00000 1.00000 0.99997
1.00000 1.00003 1.00000 0.99997 1.00001
1.00000 1.00001 1.00001 1.00003 0.99999
1.00000 1.00001 1.00004 1.00002 1.00004
0.99998 0.99998 0.99997 1.00002 1.00000
1.00000 1.00001 1.00002 1.00004 1.00002
0.99999 1.00006 1.00000 1.00000 1.00001
0.99999 0.99996 1.00001 1.00000 0.99997
1.00002 1.00003 0.99998 1.00000 1.00003
1.00001 1.00000 1.00003 0.99999 1.00004
0.99998 1.00000 1.00001 0.99997 1.00000
0.99999 1.00002 1.00000 0.99998 1.00001
1.00003 0.99999 1.00002 1.00001 1.00001
0.99997 1.00004 1.00001 0.99999 1.00000
1.00001 1.00002 1.00001 1.00000 0.99999
0.99996 1.00001 0.99999 0.99997 0.99999
0.99997 0.99999 1.00000 1.00001 1.00003
1.00002 0.99996 1.00001 0.99997 1.00003
1.00000 1.00001 0.99998 0.99999 1.00001
1.00002 0.99998 0.99999 0.99999 1.00000
0.99999 1.00001 1.00001 1.00000 1.00002
1.00000
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 82602 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
0.99998 1.00000 1.00000 1.00000 0.99997
1.00000 1.00003 1.00000 0.99997 1.00001
1.00000 1.00001 1.00001 1.00003 0.99999
1.00000 1.00001 1.00004 1.00002 1.00004
0.99998 0.99998 0.99997 1.00002 1.00000
1.00000 1.00001 1.00002 1.00004 1.00002
0.99999 1.00006 1.00000 1.00000 1.00001
0.99999 0.99996 1.00001 1.00000 0.99997
1.00002 1.00003 0.99998 1.00000 1.00003
1.00001 1.00000 1.00003 0.99999 1.00004
0.99998 1.00000 1.00001 0.99997 1.00000
0.99999 1.00002 1.00000 0.99998 1.00001
1.00003 0.99999 1.00002 1.00001 1.00001
0.99997 1.00004 1.00001 0.99999 1.00000
1.00001 1.00002 1.00001 1.00000 0.99999
0.99996 1.00001 0.99999 0.99997 0.99999
0.99997 0.99999 1.00000 1.00001 1.00003
1.00002 0.99996 1.00001 0.99997 1.00003
1.00000 1.00001 0.99998 0.99999 1.00001
1.00002 0.99998 0.99999 0.99999 1.00000
0.99999 1.00001 1.00001 1.00000 1.00002
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> 2404070639312775027.eigenfacs
Openam> file on opening on unit 10:
2404070639312775027.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404070639312775027.atom
Openam> file on opening on unit 11:
2404070639312775027.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 = 584
First residue number = 1
Last residue number = 584
Number of atoms found = 4589
Mean number per residue = 7.9
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9933E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9936E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9987E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9997E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0000E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0008E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 9.1398E-04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 1.9763E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 2.3697E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 3.1701E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 6.6792E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 9.4970E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2071
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2520
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4197
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4617
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5138
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6255
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9724
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 1.229
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 1.376
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 1.595
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 1.820
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 2.071
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 2.114
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 2.147
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 2.649
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 2.805
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 3.728
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 4.249
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 4.787
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 5.010
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 5.289
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 5.575
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 5.830
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 6.339
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 6.867
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 7.247
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 7.461
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 7.854
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 8.192
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 8.575
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 10.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 10.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 10.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 10.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 11.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 12.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 12.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 13.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 13.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 13.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 14.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 14.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 14.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 15.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 15.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 16.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 17.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 17.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 18.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 18.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 18.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 19.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 20.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 21.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 22.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 22.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 22.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 23.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 23.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 24.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 25.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 26.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 26.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 27.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 28.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 29.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 30.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 30.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 30.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 31.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 31.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 32.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 32.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 33.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 33.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 33.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 34.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 34.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 35.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 35.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 35.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 35.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 36.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 36.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 37.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 37.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 38.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 39.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 39.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 39.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 40.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 41.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 42.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 42.71
Bfactors> 106 vectors, 13767 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 : 0.000914
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= -0.543 for 584 C-alpha atoms.
Bfactors> = 5.533 +/- 29.62
Bfactors> = 0.921 +/- 0.15
Bfactors> Shiftng-fct= -4.612
Bfactors> Scaling-fct= 0.005
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404070639312775027 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404070639312775027.eigenfacs
2404070639312775027.atom
calculating perturbed structure for DQ=-80
2404070639312775027.eigenfacs
2404070639312775027.atom
calculating perturbed structure for DQ=-60
2404070639312775027.eigenfacs
2404070639312775027.atom
calculating perturbed structure for DQ=-40
2404070639312775027.eigenfacs
2404070639312775027.atom
calculating perturbed structure for DQ=-20
2404070639312775027.eigenfacs
2404070639312775027.atom
calculating perturbed structure for DQ=0
2404070639312775027.eigenfacs
2404070639312775027.atom
calculating perturbed structure for DQ=20
2404070639312775027.eigenfacs
2404070639312775027.atom
calculating perturbed structure for DQ=40
2404070639312775027.eigenfacs
2404070639312775027.atom
calculating perturbed structure for DQ=60
2404070639312775027.eigenfacs
2404070639312775027.atom
calculating perturbed structure for DQ=80
2404070639312775027.eigenfacs
2404070639312775027.atom
calculating perturbed structure for DQ=100
2404070639312775027.eigenfacs
2404070639312775027.atom
making animated gifs
11 models are in 2404070639312775027.7.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 2404070639312775027.7.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 2404070639312775027.7.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 2404070639312775027 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404070639312775027.eigenfacs
2404070639312775027.atom
calculating perturbed structure for DQ=-80
2404070639312775027.eigenfacs
2404070639312775027.atom
calculating perturbed structure for DQ=-60
2404070639312775027.eigenfacs
2404070639312775027.atom
calculating perturbed structure for DQ=-40
2404070639312775027.eigenfacs
2404070639312775027.atom
calculating perturbed structure for DQ=-20
2404070639312775027.eigenfacs
2404070639312775027.atom
calculating perturbed structure for DQ=0
2404070639312775027.eigenfacs
2404070639312775027.atom
calculating perturbed structure for DQ=20
2404070639312775027.eigenfacs
2404070639312775027.atom
calculating perturbed structure for DQ=40
2404070639312775027.eigenfacs
2404070639312775027.atom
calculating perturbed structure for DQ=60
2404070639312775027.eigenfacs
2404070639312775027.atom
calculating perturbed structure for DQ=80
2404070639312775027.eigenfacs
2404070639312775027.atom
calculating perturbed structure for DQ=100
2404070639312775027.eigenfacs
2404070639312775027.atom
making animated gifs
11 models are in 2404070639312775027.8.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 2404070639312775027.8.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 2404070639312775027.8.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 2404070639312775027 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404070639312775027.eigenfacs
2404070639312775027.atom
calculating perturbed structure for DQ=-80
2404070639312775027.eigenfacs
2404070639312775027.atom
calculating perturbed structure for DQ=-60
2404070639312775027.eigenfacs
2404070639312775027.atom
calculating perturbed structure for DQ=-40
2404070639312775027.eigenfacs
2404070639312775027.atom
calculating perturbed structure for DQ=-20
2404070639312775027.eigenfacs
2404070639312775027.atom
calculating perturbed structure for DQ=0
2404070639312775027.eigenfacs
2404070639312775027.atom
calculating perturbed structure for DQ=20
2404070639312775027.eigenfacs
2404070639312775027.atom
calculating perturbed structure for DQ=40
2404070639312775027.eigenfacs
2404070639312775027.atom
calculating perturbed structure for DQ=60
2404070639312775027.eigenfacs
2404070639312775027.atom
calculating perturbed structure for DQ=80
2404070639312775027.eigenfacs
2404070639312775027.atom
calculating perturbed structure for DQ=100
2404070639312775027.eigenfacs
2404070639312775027.atom
making animated gifs
11 models are in 2404070639312775027.9.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 2404070639312775027.9.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 2404070639312775027.9.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 2404070639312775027 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404070639312775027.eigenfacs
2404070639312775027.atom
calculating perturbed structure for DQ=-80
2404070639312775027.eigenfacs
2404070639312775027.atom
calculating perturbed structure for DQ=-60
2404070639312775027.eigenfacs
2404070639312775027.atom
calculating perturbed structure for DQ=-40
2404070639312775027.eigenfacs
2404070639312775027.atom
calculating perturbed structure for DQ=-20
2404070639312775027.eigenfacs
2404070639312775027.atom
calculating perturbed structure for DQ=0
2404070639312775027.eigenfacs
2404070639312775027.atom
calculating perturbed structure for DQ=20
2404070639312775027.eigenfacs
2404070639312775027.atom
calculating perturbed structure for DQ=40
2404070639312775027.eigenfacs
2404070639312775027.atom
calculating perturbed structure for DQ=60
2404070639312775027.eigenfacs
2404070639312775027.atom
calculating perturbed structure for DQ=80
2404070639312775027.eigenfacs
2404070639312775027.atom
calculating perturbed structure for DQ=100
2404070639312775027.eigenfacs
2404070639312775027.atom
making animated gifs
11 models are in 2404070639312775027.10.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 2404070639312775027.10.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 2404070639312775027.10.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 2404070639312775027 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404070639312775027.eigenfacs
2404070639312775027.atom
calculating perturbed structure for DQ=-80
2404070639312775027.eigenfacs
2404070639312775027.atom
calculating perturbed structure for DQ=-60
2404070639312775027.eigenfacs
2404070639312775027.atom
calculating perturbed structure for DQ=-40
2404070639312775027.eigenfacs
2404070639312775027.atom
calculating perturbed structure for DQ=-20
2404070639312775027.eigenfacs
2404070639312775027.atom
calculating perturbed structure for DQ=0
2404070639312775027.eigenfacs
2404070639312775027.atom
calculating perturbed structure for DQ=20
2404070639312775027.eigenfacs
2404070639312775027.atom
calculating perturbed structure for DQ=40
2404070639312775027.eigenfacs
2404070639312775027.atom
calculating perturbed structure for DQ=60
2404070639312775027.eigenfacs
2404070639312775027.atom
calculating perturbed structure for DQ=80
2404070639312775027.eigenfacs
2404070639312775027.atom
calculating perturbed structure for DQ=100
2404070639312775027.eigenfacs
2404070639312775027.atom
making animated gifs
11 models are in 2404070639312775027.11.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 2404070639312775027.11.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 2404070639312775027.11.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
2404070639312775027.10.pdb
2404070639312775027.11.pdb
2404070639312775027.7.pdb
2404070639312775027.8.pdb
2404070639312775027.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m28.602s
user 0m28.526s
sys 0m0.044s
../../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: 2404070639312775027.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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