*** ***
output from eigenvector calculation:
STDOUT:
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 = 2404260226082826983.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 2404260226082826983.atom to be opened.
Openam> File opened: 2404260226082826983.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 = 196
First residue number = 96
Last residue number = 313
Number of atoms found = 200
Mean number per residue = 1.0
Pdbmat> Coordinate statistics:
= 96.959465 +/- 7.483807 From: 80.392000 To: 115.853000
= 82.549120 +/- 9.467294 From: 62.374000 To: 100.077000
= -30.267360 +/- 10.704165 From: -51.741000 To: -9.893000
Pdbmat> Masses are all set to one.
%Pdbmat-W> residue:'ZN ' is not a well known amino-acid.
%Pdbmat-W> 1 residue(s) not known.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijf
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 5.6872 % Filled.
Pdbmat> 10254 non-zero elements.
Pdbmat> 1006 atom-atom interactions.
Pdbmat> Number per atom= 10.06 +/- 3.25
Maximum number = 18
Minimum number = 4
Pdbmat> Matrix trace = 20120.0
Pdbmat> Larger element = 78.1738
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 200 atoms in your structure)
Diagstd> Version 1.05, August 2004.
Diagstd> Matrix to be read from file: pdbmat.sdijf
Diagstd> Lecture de la matrice -Format CERFACS-
Diagstd> Matrix dimension (Nord) = 600
Diagstd> Number of non-zero elements 10254
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 20120.0000006
%Diagstd-Wn: Nb on non-zero elements there: 600
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 600 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 20120.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0023844 0.0616810 0.0715575 0.1184275
0.1255280 0.1537317 0.1578561 0.1859324 0.2158904
0.2550372 0.2845486 0.3210330 0.3819029 0.4035314
0.4521848 0.4959501 0.5679725 0.6122833 0.6519226
0.6586752 0.7098494 0.7840608 0.8644294 0.9248349
0.9584848 0.9772445 1.0735051 1.0861362 1.1097009
1.1489570 1.3510778 1.4193381 1.4339063 1.5480248
1.5737565 1.6290661 1.6794316 1.7099103 1.7526816
1.8460029 1.9276370 1.9686523 2.0310037 2.0841341
2.1436132 2.2833148 2.2993546 2.3840604 2.5048057
2.6318703 2.6595929 2.7416707 2.7555605 2.8955301
2.9106049 3.0225831 3.1194194 3.1886611 3.2923712
3.4064203 3.4828081 3.4988479 3.5803342 3.6633458
3.8882588 3.9568951 3.9699229 4.0370002 4.1305045
4.1758266 4.3458643 4.4058081 4.6010752 4.6507274
4.6736700 4.7755318 4.8671101 4.9490083 5.0192747
5.1134705 5.2072872 5.2681057 5.3464811 5.5052373
5.5632427 5.6748405 5.7406850 5.8228254 5.9600654
6.0680954 6.1574858 6.1881183 6.2826135 6.3716689
6.5364515 6.6259701 6.6833600 6.7245925 6.8141010
7.0201950 7.0438215 7.1614184 7.2319699 7.3839650
7.4314281 7.5276360 7.6969975 7.7487346 7.8887126
7.9909830 8.0968420 8.2685193 8.2861423 8.4657647
8.5930294 8.6369588 8.8336157 8.9729195 9.1137060
9.1389979 9.1646635 9.2186973 9.3581144 9.5882116
9.6652052 9.7915046 9.8122712 9.9261278 9.9733520
10.0513701 10.2244751 10.2576380 10.4345788 10.4722227
10.5732274 10.6508607 10.8705080 10.9615655 11.0572957
11.1484733 11.2152080 11.2579893 11.5402345 11.5956379
11.7062945 11.8919193 12.0250860 12.0978064 12.1987796
12.4440578 12.4543235 12.5674279 12.5952990 12.6830531
12.7182293 12.8929011 13.0481046 13.1711509 13.2148676
13.3583669 13.3883292 13.4666480 13.5215470 13.6657589
13.8151362 13.8928712 14.0825143 14.3174589 14.5246553
14.5900588 14.6418678 14.8122325 14.8484402 14.9648022
15.0519121 15.1290054 15.2017037 15.3110944 15.3657052
15.6736554 15.6987118 15.7233087 15.8223010 16.0636526
16.1303110 16.2505707 16.3583206 16.4679968 16.6319508
16.7663650 16.8148279 16.9234943 17.0720111 17.1771062
17.2443358 17.3227304 17.4015478 17.5331285 17.7128083
17.9140444 17.9480353 18.0845038 18.1303247 18.1650548
18.3178805 18.3595711 18.5748240 18.8628076 19.0369321
19.1529602 19.2076504 19.2711122 19.3664159 19.4279473
19.5659635 19.6534666 19.6733647 19.7580564 19.8896588
20.0652328 20.2730767 20.4622301 20.5346386 20.6147610
20.7662851 20.7949620 20.9375217 21.0140733 21.1759304
21.3007801 21.4773729 21.5436233 21.6590926 21.7802448
21.8737503 22.0363698 22.1654122 22.3056111 22.3603265
22.4084917 22.6313633 22.7414513 22.7749072 22.7893874
22.8902387 22.9818927 23.2914925 23.4305461 23.4702061
23.5802920 23.6876317 23.7629920 23.9927589 24.0717650
24.1121441 24.2150756 24.2872146 24.4176924 24.5120216
24.6017978 24.7751213 24.7858164 24.9534145 25.0935884
25.1625728 25.2701726 25.3114292 25.4287753 25.6207442
25.6861490 25.7751436 25.8755985 26.0871982 26.1527319
26.2637285 26.3326335 26.5375978 26.6010665 26.6979165
26.9050980 26.9873598 27.0938235 27.1449223 27.3253140
27.4127770 27.5416035 27.5911534 27.6611499 27.8246408
27.8727721 27.9706638 28.1117890 28.1346315 28.3399748
28.3492564 28.3768515 28.4492029 28.5760991 28.7335643
28.8425883 28.8492553 29.1154750 29.1452389 29.2013700
29.3203391 29.4924343 29.6085966 29.7693717 29.9894639
30.1275570 30.1806970 30.2214438 30.3550160 30.5310550
30.6765780 30.7164560 30.8731118 31.1117639 31.3156630
31.4954999 31.6967129 31.7903021 32.0510907 32.0932655
32.1713390 32.3868302 32.4932237 32.6587613 32.8514876
32.9953289 33.2707648 33.4137961 33.5638619 33.8030015
34.1740686 34.3119462 34.3691881 34.4669993 34.7104088
34.7676000 34.9355973 35.0498674 35.0984101 35.1328518
35.2119225 35.4237806 35.5696142 35.5898469 35.8016182
35.9696059 36.0769883 36.3847967 36.4279377 36.5503792
36.6632351 36.8436442 37.0604889 37.1461595 37.2483398
37.4888382 37.5823469 37.8574534 38.1043362 38.2442519
38.3751498 38.5566183 38.6544278 38.6875298 38.8534045
38.8976273 39.1374466 39.1598429 39.2685716 39.3485405
39.4785150 39.7092970 39.7340149 39.8427278 40.1139944
40.3821373 40.5768139 40.6119330 40.8696731 41.0964692
41.2396015 41.3378916 41.5012192 41.6811659 41.8686056
42.1771483 42.2940204 42.4068126 42.5140653 42.7018519
42.7115168 42.8363473 42.9134762 43.0481091 43.6290076
43.7531648 44.0575284 44.1844633 44.2652233 44.4228712
44.6189945 44.6621566 44.8019123 44.8644625 45.0658009
45.2265812 45.5317912 45.5687480 45.6538904 45.9986549
46.0254519 46.2044005 46.3985829 46.6282113 46.7829758
47.1201562 47.2783857 47.3776066 47.4555093 47.5214313
47.7577122 47.8776714 48.2235566 48.2917705 48.5155890
48.7777079 48.8488327 48.9378326 49.2442830 49.6403651
49.8560807 50.1098299 50.2608828 50.3526560 50.4604961
50.5719232 50.8628448 51.1122504 51.1963939 51.3399362
51.4221556 51.7463648 51.8353447 51.9675883 52.0688845
52.3712129 52.5913281 52.6074259 52.9366179 53.1004736
53.2620061 53.3113188 53.3917283 53.4270631 53.7883921
53.9378255 54.2110539 54.3588206 54.4562480 54.6963146
54.7964509 54.9645018 55.2100794 55.3514151 55.5855057
55.7188547 55.8068288 56.0086374 56.3147811 56.5774833
56.6305294 56.8576215 56.9643165 57.2707434 57.6046061
57.8006319 57.8566442 58.0858607 58.2219782 58.6760594
58.8636505 59.0523364 59.3690991 59.4293190 59.5159361
59.5840184 59.8269116 60.0526548 60.2612318 60.3937292
60.4951643 60.9304202 61.1416121 61.2880549 61.7525761
61.9937687 62.0343823 62.2402198 62.4889800 62.8009423
63.2656245 63.5273451 63.7682513 63.8866670 63.9764223
64.5104111 64.9244781 65.1270040 65.4249435 65.6893349
65.8861775 66.0482908 66.1324012 66.7074959 66.9039283
66.9509390 67.3159582 67.7115557 67.9610665 68.0425491
68.3708802 68.7433741 69.1431264 69.2834368 69.6558311
70.0059152 70.4546712 70.7884299 70.8329263 71.2525140
71.3980392 71.9718423 72.3947216 72.5913747 72.9530653
73.2766466 73.5528527 74.1583842 74.3290957 75.1581314
75.3173083 75.8209229 76.1940852 76.8656974 77.0580295
77.2483745 77.6259779 77.8143106 78.4689158 78.9414052
79.6966575 80.1078911 80.3416840 81.2303001 81.8298823
82.4388289 82.7130817 82.8195725 83.3399206 83.5286343
83.8693579 84.7753245 85.1840885 85.7367673 86.4039296
86.8871917 87.2164229 87.7101168 88.7663529 89.4020059
89.7415782 90.4213442 90.8102974 91.2267203 91.3632888
92.1165573 92.4995712 93.4956033 93.9400252 94.0602234
95.2498721 95.8995322 95.9894335 97.7954707 98.1442769
100.8470674 103.8442097 105.9268681 106.9451092 111.4892854
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034235 0.0034262 0.0034329 0.0034366 0.0034414
0.0034430 5.3025648 26.9693756 29.0484505 37.3698706
38.4738512 42.5771890 43.1445476 46.8244657 50.4558991
54.8399537 57.9259918 61.5276177 67.1076122 68.9817057
73.0219255 76.4740782 81.8387430 84.9711478 87.6785348
88.1314545 91.4910061 96.1546189 100.9624868 104.4305094
106.3133751 107.3487294 112.5116080 113.1715906 114.3926861
116.3984446 126.2221190 129.3713797 130.0336235 135.1089884
136.2272669 138.6004482 140.7266810 141.9979084 143.7628910
147.5405732 150.7675588 152.3630953 154.7571186 156.7682514
158.9895180 164.0885117 164.6638467 167.6694388 171.8629645
176.1682014 177.0935985 179.8054823 180.2603681 184.7818541
185.2622382 188.7923564 191.7927400 193.9096687 197.0378572
200.4215397 202.6562732 203.1223966 205.4740878 207.8424437
214.1277042 216.0093500 216.3646562 218.1848880 220.6972024
221.9047028 226.3775525 227.9334534 232.9297425 234.1831938
234.7601081 237.3045964 239.5691357 241.5763262 243.2852397
245.5574733 247.7998533 249.2427419 251.0899321 254.7905406
256.1293126 258.6855139 260.1819355 262.0367254 265.1067545
267.4985797 269.4616653 270.1310975 272.1857918 274.1081075
277.6299410 279.5245873 280.7325086 281.5971579 283.4650787
287.7198794 288.2036331 290.5994613 292.0273895 295.0802167
296.0270664 297.9370997 301.2700451 302.2808778 304.9989526
306.9696118 308.9961824 312.2548211 312.5874044 315.9572876
318.3233003 319.1359308 322.7487217 325.2835982 327.8255424
328.2801087 328.7407509 329.7084341 332.1922185 336.2513876
337.5987413 339.7973560 340.1575007 342.1253164 342.9381927
344.2769233 347.2288415 347.7915014 350.7783191 351.4104847
353.1010967 354.3950386 358.0306442 359.5270507 361.0935595
362.5792770 363.6628575 364.3558080 368.8948538 369.7793065
371.5395086 374.4736447 376.5645006 377.7014001 379.2743506
383.0683675 383.2263399 384.9625490 385.3891836 386.7293974
387.2653191 389.9155951 392.2554577 394.1006419 394.7541354
396.8916523 397.3365088 398.4969802 399.3084230 401.4321551
403.6201738 404.7541261 407.5072891 410.8925365 413.8549916
414.7857241 415.5215199 417.9319189 418.4424123 420.0788053
421.2996684 422.3772021 423.3907959 424.9114146 425.6685153
429.9128516 430.2563503 430.5932825 431.9466414 435.2286053
436.1306918 437.7534617 439.2023322 440.6722137 442.8604290
444.6463572 445.2885153 446.7250435 448.6809420 450.0598597
450.9397465 451.9635945 452.9906303 454.7000352 457.0239831
459.6127874 460.0486254 461.7943110 462.3789678 462.8216181
464.7644394 465.2930292 468.0126955 471.6267694 473.7985868
475.2402699 475.9182964 476.7038619 477.8811582 478.6397230
480.3368434 481.4097295 481.6533684 482.6889877 484.2938417
486.4266737 488.9394859 491.2151611 492.0835104 493.0425858
494.8512663 495.1928276 496.8873235 497.7948527 499.7082624
501.1791951 503.2524048 504.0279891 505.3769254 506.7883919
507.8750823 509.7594739 511.2498417 512.8641507 513.4927903
514.0455372 516.5955230 517.8504629 518.2312383 518.3959569
519.5417357 520.5808364 524.0755993 525.6376749 526.0823507
527.3146892 528.5135199 529.3535641 531.9065950 532.7816365
533.2283055 534.3652341 535.1606041 536.5961956 537.6316728
538.6153203 540.5093057 540.6259583 542.4506962 543.9721502
544.7193490 545.8827666 546.3281954 547.5931441 549.6562241
550.3573607 551.3099449 552.3832266 554.6372059 555.3334208
556.5106374 557.2401843 559.4046660 560.0732169 561.0918566
563.2647453 564.1251731 565.2368001 565.7695656 567.6463651
568.5541016 569.8884967 570.4009080 571.1239802 572.8093036
573.3045157 574.3103810 575.7573922 575.9912635 578.0894055
578.1840627 578.4653958 579.2023718 580.4926861 582.0898566
583.1931255 583.2605237 585.9454961 586.2449170 586.8091727
588.0033149 589.7264279 590.8866688 592.4887583 594.6749319
596.0425150 596.5679433 596.9705195 598.2883051 600.0206347
601.4489014 601.8397016 603.3724592 605.7000337 607.6815985
609.4239713 611.3675636 612.2694745 614.7756909 615.1800378
615.9278600 617.9872319 619.0014701 620.5762271 622.4046094
623.7657304 626.3638319 627.7087600 629.1167426 631.3539660
634.8098012 636.0891037 636.6194705 637.5247038 639.7718752
640.2987245 641.8438245 642.8926638 643.3377004 643.6532728
644.3771757 646.3127672 647.6417797 647.8259494 649.7504799
651.2730691 652.2444882 655.0210495 655.4092600 656.5098154
657.5225806 659.1383345 661.0751810 661.8388240 662.7484803
664.8845959 665.7132926 668.1453937 670.3204681 671.5500186
672.6982877 674.2869407 675.1416561 675.4306757 676.8770983
677.2621980 679.3467845 679.5411345 680.4838654 681.1764024
682.3004917 684.2918688 684.5048120 685.4405805 687.7700105
690.0648888 691.7262416 692.0255206 694.2179872 696.1415182
697.3527375 698.1832755 699.5611900 701.0761766 702.6507737
705.2350473 706.2114677 707.1525237 708.0462027 709.6082162
709.6885159 710.7248422 711.3644016 712.4794130 717.2704638
718.2903242 720.7843446 721.8219301 722.4812991 723.7666918
725.3626173 725.7133715 726.8479270 727.3551439 728.9853944
730.2846293 732.7446364 733.0419491 733.7264514 736.4916818
736.7061761 738.1369571 739.6864083 741.5145179 742.7440846
745.4158807 746.6663854 747.4494713 748.0637317 748.5831313
750.4418362 751.3837353 754.0929822 754.6261391 756.3728551
758.4133599 758.9660954 759.6571777 762.0319655 765.0904197
766.7509936 768.6997582 769.8574846 770.5600198 771.3847309
772.2359496 774.4539584 776.3504013 776.9891716 778.0776537
778.7004386 781.1513781 781.8226999 782.8193673 783.5819388
785.8535083 787.5032401 787.6237556 790.0841976 791.3060345
792.5087031 792.8754908 793.4732129 793.7357307 796.4152390
797.5207608 799.5381763 800.6271127 801.3442737 803.1086667
803.8434840 805.0751624 806.8716680 807.9037884 809.6103675
810.5809088 811.2205664 812.6860105 814.9040576 816.8025651
817.1853851 818.8222291 819.5901414 821.7915859 824.1834435
825.5845810 825.9845052 827.6190810 828.5882278 831.8130893
833.1417082 834.4759465 836.7110598 837.1353029 837.7451355
838.2241607 839.9309264 841.5140784 842.9741994 843.9004214
844.6088163 847.6418036 849.1095453 850.1258057 853.3414082
855.0062700 855.2862918 856.7040879 858.4144078 860.5544614
863.7323383 865.5170610 867.1566001 867.9613687 868.5708603
872.1881563 874.9827957 876.3464473 878.3486907 880.1216666
881.4393531 882.5230800 883.0848338 886.9162240 888.2211072
888.5331112 890.9519780 893.5660834 895.2109241 895.7474240
897.9059838 900.3486187 902.9626504 903.8783658 906.3042559
908.5789046 911.4863654 913.6427663 913.9298716 916.6327637
917.5683458 921.2480682 923.9505563 925.2046158 927.5066939
929.5613831 931.3116614 935.1373633 936.2130809 941.4196682
942.4160539 945.5615706 947.8855653 952.0539656 953.2443283
954.4209306 956.7507743 957.9106844 961.9314105 964.8231307
969.4274971 971.9253946 973.3426316 978.7106384 982.3160579
985.9642932 987.6029564 988.2385075 991.3381540 992.4599053
994.4820285 999.8388567 1002.2464361 1005.4924931 1009.3970411
1012.2159129 1014.1318336 1016.9980611 1023.1032601 1026.7599300
1028.7080340 1032.5967642 1034.8152713 1037.1852004 1037.9612553
1042.2313431 1044.3958560 1050.0038085 1052.4963937 1053.1695238
1059.8087013 1063.4168182 1063.9151533 1073.8772724 1075.7906617
1090.5031314 1106.5891890 1117.6307602 1122.9896263 1146.5997591
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404260226082826983.eigenfacs
Openam> file on opening on unit 10:
2404260226082826983.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404260226082826983.atom
Openam> file on opening on unit 11:
2404260226082826983.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 = 196
First residue number = 96
Last residue number = 313
Number of atoms found = 200
Mean number per residue = 1.0
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9393E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9550E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9937E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0015E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0043E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0053E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 2.3844E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 6.1681E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 7.1558E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1184
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1255
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1537
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1579
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1859
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2159
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2550
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2845
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3210
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3819
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4035
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4522
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4960
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5680
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6123
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6519
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6587
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7098
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7841
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8644
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9248
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9585
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9772
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 1.074
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 1.086
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 1.110
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 1.149
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 1.351
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 1.419
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 1.434
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 1.548
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 1.574
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 1.629
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 1.679
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 1.710
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 1.753
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 1.846
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 1.928
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 1.969
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 2.031
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 2.084
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 2.144
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 2.283
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 2.299
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 2.384
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 2.505
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 2.632
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 2.660
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 2.742
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 2.756
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 2.896
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 2.911
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 3.023
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 3.119
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 3.189
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 3.292
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 3.406
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 3.483
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 3.499
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 3.580
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 3.663
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 3.888
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 3.957
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 3.970
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 4.037
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 4.131
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 4.176
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 4.346
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 4.406
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 4.601
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 4.651
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 4.674
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 4.776
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 4.867
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 4.949
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 5.019
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 5.113
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 5.207
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 5.268
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 5.346
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 5.505
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 5.563
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 5.675
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 5.741
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 5.823
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 5.960
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 6.068
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 6.157
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 6.188
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 6.283
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 6.372
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 6.536
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 6.626
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 6.683
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 6.725
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 6.814
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 7.020
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 600 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 : 0.002384
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= 0.137 for 199 C-alpha atoms.
Bfactors> = 42.753 +/- 256.36
Bfactors> = 19.816 +/- 8.21
Bfactors> Shiftng-fct= -22.937
Bfactors> Scaling-fct= 0.032
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404260226082826983 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=-80
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=-60
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=-40
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=-20
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=0
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=20
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=40
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=60
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=80
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=100
2404260226082826983.eigenfacs
2404260226082826983.atom
making animated gifs
11 models are in 2404260226082826983.7.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 2404260226082826983.7.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 2404260226082826983.7.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 2404260226082826983 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=-80
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=-60
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=-40
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=-20
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=0
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=20
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=40
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=60
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=80
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=100
2404260226082826983.eigenfacs
2404260226082826983.atom
making animated gifs
11 models are in 2404260226082826983.8.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 2404260226082826983.8.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 2404260226082826983.8.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 2404260226082826983 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=-80
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=-60
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=-40
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=-20
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=0
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=20
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=40
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=60
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=80
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=100
2404260226082826983.eigenfacs
2404260226082826983.atom
making animated gifs
11 models are in 2404260226082826983.9.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 2404260226082826983.9.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 2404260226082826983.9.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 2404260226082826983 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=-80
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=-60
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=-40
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=-20
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=0
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=20
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=40
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=60
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=80
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=100
2404260226082826983.eigenfacs
2404260226082826983.atom
making animated gifs
11 models are in 2404260226082826983.10.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 2404260226082826983.10.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 2404260226082826983.10.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 2404260226082826983 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=-80
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=-60
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=-40
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=-20
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=0
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=20
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=40
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=60
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=80
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=100
2404260226082826983.eigenfacs
2404260226082826983.atom
making animated gifs
11 models are in 2404260226082826983.11.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 2404260226082826983.11.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 2404260226082826983.11.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
getting mode 12
running: ../../bin/get_modes.sh 2404260226082826983 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=-80
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=-60
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=-40
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=-20
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=0
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=20
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=40
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=60
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=80
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=100
2404260226082826983.eigenfacs
2404260226082826983.atom
making animated gifs
11 models are in 2404260226082826983.12.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404260226082826983.12.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404260226082826983.12.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 13
running: ../../bin/get_modes.sh 2404260226082826983 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=-80
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=-60
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=-40
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=-20
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=0
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=20
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=40
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=60
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=80
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=100
2404260226082826983.eigenfacs
2404260226082826983.atom
making animated gifs
11 models are in 2404260226082826983.13.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404260226082826983.13.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404260226082826983.13.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 14
running: ../../bin/get_modes.sh 2404260226082826983 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=-80
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=-60
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=-40
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=-20
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=0
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=20
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=40
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=60
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=80
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=100
2404260226082826983.eigenfacs
2404260226082826983.atom
making animated gifs
11 models are in 2404260226082826983.14.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404260226082826983.14.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404260226082826983.14.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 15
running: ../../bin/get_modes.sh 2404260226082826983 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=-80
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=-60
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=-40
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=-20
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=0
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=20
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=40
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=60
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=80
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=100
2404260226082826983.eigenfacs
2404260226082826983.atom
making animated gifs
11 models are in 2404260226082826983.15.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404260226082826983.15.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404260226082826983.15.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 16
running: ../../bin/get_modes.sh 2404260226082826983 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=-80
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=-60
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=-40
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=-20
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=0
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=20
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=40
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=60
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=80
2404260226082826983.eigenfacs
2404260226082826983.atom
calculating perturbed structure for DQ=100
2404260226082826983.eigenfacs
2404260226082826983.atom
making animated gifs
11 models are in 2404260226082826983.16.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404260226082826983.16.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404260226082826983.16.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
2404260226082826983.10.pdb
2404260226082826983.11.pdb
2404260226082826983.12.pdb
2404260226082826983.13.pdb
2404260226082826983.14.pdb
2404260226082826983.15.pdb
2404260226082826983.16.pdb
2404260226082826983.7.pdb
2404260226082826983.8.pdb
2404260226082826983.9.pdb
STDERR:
real 0m3.133s
user 0m3.117s
sys 0m0.016s
../../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: 2404260226082826983.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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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