*** ***
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 = 2404260338112870070.atom
Pdbmat> Distance cutoff = 10.00
Force constant = 10.00
Origin of mass values = CONS
Pdbmat> Levelshift = 1.0E-09
PRINTing level = 2
Pdbmat> Coordinate file 2404260338112870070.atom to be opened.
Openam> File opened: 2404260338112870070.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 = 184
First residue number = 97
Last residue number = 1292
Number of atoms found = 184
Mean number per residue = 1.0
Pdbmat> Coordinate statistics:
= 125.079962 +/- 9.559239 From: 104.174000 To: 144.873000
= -28.771663 +/- 8.008014 From: -46.624000 To: -8.704000
= -263.865337 +/- 9.676249 From: -284.180000 To: -243.328000
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 10.0427 % Filled.
Pdbmat> 15328 non-zero elements.
Pdbmat> 1581 atom-atom interactions.
Pdbmat> Number per atom= 17.18 +/- 5.38
Maximum number = 29
Minimum number = 6
Pdbmat> Matrix trace = 31620.0
Pdbmat> Larger element = 107.209
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 184 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) = 552
Diagstd> Number of non-zero elements 15328
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 31620.0000006
%Diagstd-Wn: Nb on non-zero elements there: 552
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 552 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 31620.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.3047146 0.7503716 0.8363008 0.9321550
1.1254125 1.5202128 1.6078832 2.0468426 2.2234367
2.3155776 2.6068787 2.7124447 2.9978850 3.2111363
3.3497006 3.5107594 3.5738156 3.7064789 3.8440316
3.9194881 4.2508529 4.6644638 4.7331468 4.9543458
5.0706555 5.3330961 5.5617747 5.8119155 6.0814792
6.2619732 6.5204724 6.9932356 7.1822954 7.3204849
7.6923683 7.8461069 7.9303664 8.1437579 8.2915472
8.7626745 8.9765104 9.4732377 9.5390148 9.6662979
9.7990143 9.9756491 10.2167688 10.3621677 10.6860487
10.7638823 11.1273137 11.1894406 11.4635038 11.5582998
11.8081493 12.1578577 12.4531049 12.6044431 12.7003248
13.1178931 13.3123318 13.5742318 13.7910621 14.1613483
14.3028208 14.6215055 14.8651574 14.8818217 15.0742146
15.1846079 15.3636713 15.5123537 15.9090523 16.0504199
16.2925845 16.3754255 16.6822762 16.7844907 16.9335577
17.4792905 17.5810358 17.6503044 18.0828268 18.1501499
18.4770063 18.8035347 18.8917528 19.3219960 19.6308737
19.8602776 19.9173266 20.2190479 20.2964558 20.5746581
20.7392561 20.8177217 21.3407794 21.5734439 21.6710413
22.0059541 22.2292469 22.3099750 22.6135922 22.8898193
23.0692725 23.1601563 23.5216528 23.7426949 24.0407856
24.0680689 24.2573634 24.5175663 25.0681016 25.2293033
25.5665862 25.6026787 25.7289336 25.7965675 25.9964376
26.1944459 26.4961316 26.6812859 26.8112747 26.8682721
27.2478249 27.4693498 27.6786801 27.7434957 27.9752326
28.0736738 28.1815624 28.3514572 28.4554702 28.6241662
28.6943578 28.8208797 28.9030718 29.1345243 29.2807912
29.5805095 29.6779802 29.8635325 29.9928544 30.1870085
30.5360095 30.5972640 30.9357278 31.1306662 31.1998407
31.4320667 31.7415260 31.8956386 32.0708276 32.1354909
32.2661824 32.5147718 32.5297422 32.9650229 33.1922809
33.5219443 33.7215905 33.9987006 34.1685707 34.2621893
34.4638928 34.6726231 34.8645279 34.9622359 35.0370397
35.3081678 35.4319963 35.6547345 35.9270777 36.1445173
36.2019162 36.4884482 36.6759532 36.7360988 36.8380197
37.0844783 37.3012394 37.6674208 37.7593660 37.8975488
38.3201460 38.3946256 38.6542417 38.7870239 38.8863298
38.9977817 39.2547136 39.3167305 39.6992134 40.0197843
40.1979677 40.2498059 40.5085701 40.6169960 40.7844464
40.9264722 40.9876583 41.2026311 41.2997283 41.4887348
41.7202391 41.8994773 42.0896216 42.2735984 42.5606996
42.6433504 42.6902607 42.9519143 43.0623413 43.2211200
43.4828243 43.5325833 43.6617250 43.6676931 43.9513399
44.1112428 44.1389440 44.2973480 44.5574407 44.6912583
44.7868612 45.0915905 45.3979680 45.5797332 45.6668911
45.7326540 45.9331412 45.9694476 46.2690921 46.4097550
46.5533046 46.6681916 46.9203568 47.0386073 47.1442376
47.3444623 47.5674924 47.7688822 47.8655188 48.1132725
48.4440767 48.6064009 48.7368900 48.9155405 49.1746231
49.2300996 49.3512591 49.4683866 49.6538840 49.8596128
50.1739029 50.4334645 50.4987161 50.6435990 50.8075864
51.0787037 51.2812149 51.5351688 51.6695965 51.8104045
52.0481871 52.1805550 52.5035926 52.6045892 52.8641317
52.9810897 53.1464725 53.2597249 53.3954083 53.6986524
53.7324589 53.8425016 54.1035548 54.2158311 54.4569553
54.5591902 54.6727458 55.0207911 55.1553905 55.3862584
55.6170168 55.7633936 56.0763318 56.2634547 56.5800822
56.6709970 56.9187629 56.9971955 57.0912933 57.2509278
57.5191866 57.6416083 57.8344751 58.0134798 58.4045871
58.6355367 58.7551602 58.8305671 58.9814029 59.1207645
59.4902730 59.5463150 59.8791041 60.1490528 60.2324879
60.4175831 60.6041282 60.7893771 60.9268186 61.0269396
61.6327540 61.7136923 61.8548866 62.0787530 62.1663387
62.3434751 62.3723353 62.6629141 62.9661525 63.0819743
63.3153867 63.6849474 63.7372460 63.7610539 64.1320533
64.1580069 64.5795704 64.6915987 64.9629786 65.1227138
65.4050445 65.5378165 65.7360566 66.1393185 66.3370540
66.5095176 66.7078746 66.7163364 66.7594488 67.0259752
67.0393876 67.3650668 67.4650563 67.7678833 67.9460324
68.4266383 68.4758979 68.6654147 68.8422102 69.0624232
69.2288982 69.4812273 69.5900540 69.7440517 70.0741231
70.1965758 70.3864524 70.4501817 70.6560227 70.8231498
71.2425930 71.5339619 71.6430315 71.8771787 72.0694732
72.6153891 72.8932290 73.0682395 73.2803324 73.5705625
73.8594879 73.9648146 74.0996227 74.1972627 74.5005654
74.8614312 75.0744709 75.2482499 75.3962599 75.9769742
76.1890188 76.4220194 76.8228759 77.1360797 77.2158597
77.5212415 77.8061946 78.0455643 78.1786036 78.2923354
78.3320661 78.6243307 78.8063692 78.9925217 79.3148913
79.4189701 80.0462409 80.1869197 80.2744261 80.6796318
80.7297632 80.9828111 81.2607397 81.5739210 81.9204588
82.0577146 82.5502472 82.7147050 82.7648176 83.0844444
83.3963645 83.7006479 83.9951514 84.2989379 84.4688225
84.6473654 85.1979503 85.3244289 85.4789401 85.7605188
85.8532683 86.3781245 86.5305727 86.9357082 87.2944446
87.5351474 87.7674379 88.2633928 88.4269269 88.8698824
89.6604371 89.7833712 90.2768439 90.7991823 91.1223742
91.3468051 91.4559739 91.7407319 92.0000628 92.0151253
92.2380284 92.7656458 93.0061882 93.3907326 93.6108643
94.2095344 94.3465084 94.6257956 95.4261368 95.5541133
95.8250435 95.9351739 96.2335813 96.3455867 96.8271858
97.2946857 97.6773002 97.9145199 98.4170168 98.7654824
98.9822184 99.1049341 99.7640299 100.1375421 100.6379216
100.9642251 101.2014634 101.4496951 102.0639605 102.5469603
102.6354831 103.4089292 103.8183371 104.0696254 104.1520433
104.9874181 105.4938784 105.8757902 106.2569464 106.5225315
106.9800795 107.5138729 108.1435362 108.6097103 108.7284756
109.2747215 109.5912412 109.9271243 110.4032501 110.8424568
111.2862674 111.6062013 112.1812669 112.7158207 112.9863477
113.2777562 114.0470717 114.6783802 114.7974773 115.3571556
116.4229932 116.9323038 117.6032475 118.1202580 118.6368796
118.9384609 119.2954653 120.4039774 120.8111538 121.3349373
121.7119839 122.6227065 123.8339971 124.2711045 125.5627473
126.4879234 126.9984160 127.7890162 129.2169366 129.8358150
130.6258357 130.8932123 132.5712451 132.9064487 134.3879566
135.0497615 136.0523687 136.5285662 138.2402012 138.8297393
139.2548158 140.5918743 142.3548813 145.3847426 145.5140740
145.7554308 148.3187693 150.7373419 152.8321432 152.9514995
157.1725743 163.8823289
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034254 0.0034307 0.0034355 0.0034397 0.0034456
0.0034544 59.9434710 94.0661735 99.3062377 104.8429800
115.1996443 133.8897955 137.6963827 155.3593882 161.9226724
165.2437159 175.3297812 178.8445570 188.0194434 194.5918530
198.7459435 203.4678581 205.2869543 209.0624564 212.9064186
214.9858903 223.8892895 234.5287803 236.2491569 241.7065594
244.5272890 250.7754310 256.0955161 261.7911289 267.7934150
271.7383189 277.2903842 287.1668860 291.0227307 293.8090738
301.1794363 304.1742119 305.8031154 309.8901045 312.6893347
321.4501404 325.3486809 334.2292836 335.3876310 337.6178250
339.9276370 342.9776830 347.0979623 349.5590801 354.9799745
356.2704075 362.2350290 363.2448513 367.6664223 369.1834781
373.1523651 378.6376603 383.2075917 385.5290524 386.9926296
393.3030583 396.2071851 400.0855916 403.2683488 408.6463111
410.6824359 415.2324891 418.6778985 418.9125091 421.6116732
423.1526556 425.6403426 427.6949577 433.1291720 435.0493055
438.3189751 439.4318964 443.5299322 444.8866401 446.8578444
454.0013879 455.3208197 456.2169119 461.7728997 462.6317008
466.7787574 470.8851868 471.9884888 477.3327955 481.1329434
483.9360074 484.6305665 488.2875272 489.2213304 492.5627827
494.5291179 495.4637432 501.6495406 504.3767051 505.5163073
509.4075545 511.9854929 512.9143179 516.3926573 519.5369759
521.5695514 522.5959305 526.6586209 529.1274422 532.4386919
532.7407320 534.8316226 537.6924757 543.6958315 545.4411623
549.0749760 549.4624058 550.8155262 551.5390185 553.6715393
555.7761271 558.9674475 560.9170723 562.2817805 562.8791333
566.8409281 569.1404728 571.3049256 571.9734517 574.3572844
575.3669409 576.4714635 578.2065049 579.2661669 580.9806960
581.6925943 582.9736117 583.8042886 586.1371469 587.6066254
590.6063412 591.5785939 593.4250428 594.7085464 596.6303185
600.0693175 600.6708786 603.9840214 605.8840049 606.5567899
608.8099603 611.7995899 613.2830066 614.9649501 615.5846043
616.8350912 619.2066840 619.3492145 623.4792026 625.6246167
628.7237703 630.5932325 633.1789085 634.7587359 635.6277299
637.4959732 639.4235533 641.1906411 642.0884818 642.7750085
645.2572180 646.3877111 648.4162405 650.8879434 652.8546399
653.3728133 655.9533846 657.6366147 658.1756292 659.0880204
661.2891041 663.2189270 666.4663434 667.2792605 668.4991213
672.2160190 672.8689666 675.1400307 676.2986322 677.1638376
678.1335513 680.3637826 680.9010099 684.2049805 686.9619014
688.4895117 688.9332970 691.1443104 692.0686558 693.4937731
694.7002190 695.2193218 697.0400872 697.8609179 699.4559614
701.4047050 702.9097754 704.5029091 706.0409470 708.4344296
709.1219680 709.5119002 711.6829189 712.5971802 713.9097093
716.0678123 716.4774073 717.5393542 717.5883924 719.9151948
721.2235964 721.4500196 722.7434153 724.8621104 725.9497691
726.7258248 729.1939512 731.6670332 733.1303006 733.8309149
734.3591036 735.9670199 736.2578240 738.6535157 739.7754558
740.9186691 741.8323467 743.8338414 744.7705711 745.6063342
747.1879759 748.9458333 750.5295910 751.2883689 753.2302078
755.8152006 757.0804171 758.0959674 759.4841392 761.4927984
761.9222171 762.8592187 763.7639459 765.1945936 766.7781541
769.1910505 771.1780891 771.6768089 772.7830024 774.0331529
776.0955867 777.6325540 779.5556643 780.5717245 781.6345931
783.4261861 784.4217501 786.8460900 787.6025199 789.5430806
790.4160010 791.6486989 792.4917313 793.5005572 795.7505982
796.0010451 796.8157232 798.7450516 799.5734046 801.3494782
802.1013331 802.9356176 805.4872967 806.4719412 808.1580327
809.8398168 810.9048131 813.1769850 814.5326133 816.8213244
817.4773095 819.2623677 819.8266353 820.5030901 821.6494042
823.5721425 824.4481074 825.8262426 827.1032713 829.8866134
831.5258077 832.3735814 832.9075477 833.9746111 834.9592896
837.5644992 837.9589149 840.2972209 842.1892172 842.7731310
844.0670644 845.3691292 846.6601649 847.6167514 848.3129093
852.5131118 853.0727032 854.0480151 855.5921132 856.1954692
857.4144208 857.6128559 859.6082486 861.6856464 862.4777876
864.0719601 866.5900085 866.9457607 867.1076620 869.6266745
869.8026218 872.6555519 873.4121364 875.2421915 876.3175823
878.2151062 879.1060405 880.4346056 883.1310167 884.4501717
885.5991258 886.9187417 886.9749920 887.2615295 889.0308902
889.1198359 891.2769038 891.9381168 893.9376742 895.1119010
898.2720410 898.5953113 899.8379470 900.9956263 902.4355315
903.5225374 905.1676430 905.8762365 906.8780013 909.0214185
909.8153171 911.0449783 911.4573239 912.7878988 913.8667981
916.5689465 918.4413323 919.1412502 920.6420162 921.8726996
925.3576393 927.1262439 928.2385524 929.5847611 931.4237734
933.2509194 933.9161093 934.7667986 935.3824602 937.2923332
939.5596191 940.8955624 941.9839042 942.9098698 946.5341276
947.8540512 949.3023038 951.7887362 953.7269652 954.2200459
956.1051114 957.8607282 959.3330194 960.1503284 960.8484730
961.0922408 962.8835360 963.9975711 965.1354534 967.1028141
967.7371329 971.5513309 972.4046921 972.9351304 975.3876089
975.6905969 977.2185544 978.8939983 980.7785281 982.8595643
983.6825990 986.6303469 987.6126475 987.9117742 989.8175285
991.6738009 993.4812844 995.2275484 997.0256511 998.0297799
999.0839977 1002.3279795 1003.0716948 1003.9794987 1005.6317583
1006.1754038 1009.2462988 1010.1365125 1012.4984764 1014.5853413
1015.9831701 1017.3303256 1020.2006336 1021.1453083 1023.6997167
1028.2428684 1028.9475427 1031.7713497 1034.7519392 1036.5918589
1037.8676170 1038.4876107 1040.1030757 1041.5721093 1041.6573708
1042.9182946 1045.8968774 1047.2520111 1049.4147674 1050.6508298
1054.0050917 1054.7710379 1056.3310661 1060.7888626 1061.4999391
1063.0037409 1063.6144131 1065.2673207 1065.8870681 1068.5477525
1071.1242210 1073.2282699 1074.5307038 1077.2844189 1079.1899070
1080.3733724 1081.0428750 1084.6316474 1086.6601574 1089.3717526
1091.1363865 1092.4175703 1093.7565161 1097.0627992 1099.6555638
1100.1300957 1104.2675260 1106.4513284 1107.7895801 1108.2281503
1112.6636703 1115.3441912 1117.3612671 1119.3707280 1120.7687669
1123.1732159 1125.9718511 1129.2642082 1131.6955493 1132.3141379
1135.1549162 1136.7977444 1138.5384811 1141.0014846 1143.2688005
1145.5553249 1147.2008063 1150.1525603 1152.8895936 1154.2722778
1155.7598389 1159.6778164 1162.8830899 1163.4867787 1166.3195350
1171.6952263 1174.2553118 1177.6193618 1180.2050638 1182.7831745
1184.2855695 1186.0616072 1191.5594000 1193.5724786 1196.1570804
1198.0141595 1202.4879390 1208.4125469 1210.5433867 1216.8181670
1221.2928417 1223.7548679 1227.5580642 1234.3974068 1237.3499196
1241.1087038 1242.3782603 1250.3164578 1251.8961594 1258.8542648
1261.9501251 1266.6258118 1268.8405365 1276.7693803 1279.4889344
1281.4462424 1287.5834645 1295.6313922 1309.3468153 1309.9290705
1311.0149765 1322.4928624 1333.2319315 1342.4639494 1342.9880546
1361.3934712 1390.1489748
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404260338112870070.eigenfacs
Openam> file on opening on unit 10:
2404260338112870070.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404260338112870070.atom
Openam> file on opening on unit 11:
2404260338112870070.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 = 184
First residue number = 97
Last residue number = 1292
Number of atoms found = 184
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: 9.9504E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9811E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0009E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0033E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0068E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0119E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3047
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7504
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8363
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9322
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.125
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.520
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.608
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 2.047
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 2.223
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 2.316
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 2.607
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 2.712
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 2.998
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 3.211
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 3.350
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 3.511
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 3.574
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 3.706
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 3.844
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 3.919
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 4.251
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 4.664
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 4.733
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 4.954
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 5.071
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 5.333
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 5.562
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 5.812
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 6.081
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 6.262
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 6.520
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 6.993
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 7.182
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 7.320
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 7.692
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 7.846
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 7.930
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 8.144
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 8.292
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 8.763
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 8.977
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 9.473
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 9.539
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 9.666
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 9.799
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 9.976
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 10.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 10.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 10.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 10.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 11.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 11.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 11.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 11.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 11.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 12.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 12.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 12.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 12.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 13.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 13.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 13.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 13.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 14.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 14.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 14.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 14.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 14.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 15.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 15.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 15.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 15.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 15.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 16.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 16.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 16.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 16.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 16.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 16.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 17.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 17.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 17.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 18.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 18.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 18.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 18.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 18.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 19.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 19.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 19.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 19.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 20.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 20.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 20.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 20.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 20.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 21.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 21.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 21.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 22.01
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 552 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 : 0.304700
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= 0.597 for 183 C-alpha atoms.
Bfactors> = 1.769 +/- 2.92
Bfactors> = 27.197 +/- 13.67
Bfactors> Shiftng-fct= 25.429
Bfactors> Scaling-fct= 4.684
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404260338112870070 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=-80
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=-60
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=-40
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=-20
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=0
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=20
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=40
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=60
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=80
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=100
2404260338112870070.eigenfacs
2404260338112870070.atom
making animated gifs
11 models are in 2404260338112870070.7.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 2404260338112870070.7.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 2404260338112870070.7.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 2404260338112870070 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=-80
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=-60
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=-40
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=-20
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=0
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=20
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=40
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=60
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=80
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=100
2404260338112870070.eigenfacs
2404260338112870070.atom
making animated gifs
11 models are in 2404260338112870070.8.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 2404260338112870070.8.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 2404260338112870070.8.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 2404260338112870070 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=-80
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=-60
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=-40
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=-20
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=0
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=20
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=40
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=60
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=80
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=100
2404260338112870070.eigenfacs
2404260338112870070.atom
making animated gifs
11 models are in 2404260338112870070.9.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 2404260338112870070.9.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 2404260338112870070.9.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 2404260338112870070 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=-80
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=-60
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=-40
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=-20
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=0
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=20
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=40
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=60
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=80
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=100
2404260338112870070.eigenfacs
2404260338112870070.atom
making animated gifs
11 models are in 2404260338112870070.10.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 2404260338112870070.10.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 2404260338112870070.10.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 2404260338112870070 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=-80
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=-60
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=-40
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=-20
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=0
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=20
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=40
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=60
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=80
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=100
2404260338112870070.eigenfacs
2404260338112870070.atom
making animated gifs
11 models are in 2404260338112870070.11.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 2404260338112870070.11.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 2404260338112870070.11.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 2404260338112870070 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=-80
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=-60
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=-40
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=-20
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=0
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=20
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=40
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=60
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=80
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=100
2404260338112870070.eigenfacs
2404260338112870070.atom
making animated gifs
11 models are in 2404260338112870070.12.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 2404260338112870070.12.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 2404260338112870070.12.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 2404260338112870070 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=-80
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=-60
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=-40
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=-20
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=0
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=20
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=40
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=60
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=80
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=100
2404260338112870070.eigenfacs
2404260338112870070.atom
making animated gifs
11 models are in 2404260338112870070.13.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 2404260338112870070.13.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 2404260338112870070.13.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 2404260338112870070 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=-80
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=-60
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=-40
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=-20
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=0
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=20
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=40
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=60
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=80
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=100
2404260338112870070.eigenfacs
2404260338112870070.atom
making animated gifs
11 models are in 2404260338112870070.14.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 2404260338112870070.14.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 2404260338112870070.14.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 2404260338112870070 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=-80
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=-60
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=-40
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=-20
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=0
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=20
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=40
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=60
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=80
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=100
2404260338112870070.eigenfacs
2404260338112870070.atom
making animated gifs
11 models are in 2404260338112870070.15.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 2404260338112870070.15.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 2404260338112870070.15.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 2404260338112870070 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=-80
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=-60
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=-40
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=-20
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=0
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=20
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=40
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=60
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=80
2404260338112870070.eigenfacs
2404260338112870070.atom
calculating perturbed structure for DQ=100
2404260338112870070.eigenfacs
2404260338112870070.atom
making animated gifs
11 models are in 2404260338112870070.16.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 2404260338112870070.16.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 2404260338112870070.16.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
2404260338112870070.10.pdb
2404260338112870070.11.pdb
2404260338112870070.12.pdb
2404260338112870070.13.pdb
2404260338112870070.14.pdb
2404260338112870070.15.pdb
2404260338112870070.16.pdb
2404260338112870070.7.pdb
2404260338112870070.8.pdb
2404260338112870070.9.pdb
STDERR:
real 0m2.476s
user 0m2.464s
sys 0m0.012s
../../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: 2404260338112870070.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
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If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 25th, 2023.
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