*** ***
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 = 2404260434292885739.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 2404260434292885739.atom to be opened.
Openam> File opened: 2404260434292885739.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 = 183
First residue number = 97
Last residue number = 291
Number of atoms found = 183
Mean number per residue = 1.0
Pdbmat> Coordinate statistics:
= 125.163546 +/- 9.518019 From: 104.174000 To: 144.873000
= -28.750339 +/- 8.024648 From: -46.624000 To: -8.704000
= -263.893033 +/- 9.695315 From: -284.180000 To: -243.328000
Pdbmat> Masses are all set to one.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijf
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 10.0116 % Filled.
Pdbmat> 15115 non-zero elements.
Pdbmat> 1558 atom-atom interactions.
Pdbmat> Number per atom= 17.03 +/- 5.32
Maximum number = 29
Minimum number = 6
Pdbmat> Matrix trace = 31160.0
Pdbmat> Larger element = 107.209
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 183 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) = 549
Diagstd> Number of non-zero elements 15115
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 31160.0000005
%Diagstd-Wn: Nb on non-zero elements there: 549
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 549 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 31160.0000005
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.3046919 0.7494635 0.8364805 0.9322686
1.1250083 1.5190123 1.6091378 2.0424753 2.2133129
2.3102848 2.5643121 2.6087995 2.9330683 3.2019681
3.3190925 3.5088867 3.5704124 3.6651760 3.8271956
3.9047095 4.2418259 4.6367677 4.7286765 4.9621727
5.0590993 5.2319745 5.4131023 5.6090945 5.8623169
6.2121417 6.5085836 6.9487649 7.1784960 7.2028600
7.5742285 7.7777404 7.8191772 8.0778931 8.2024870
8.7246112 8.8249571 8.9776845 9.4209318 9.5110564
9.6742504 9.8282562 10.1655624 10.2813027 10.5619404
10.6881431 11.1113366 11.1261825 11.3203619 11.4848156
11.7647292 12.0063563 12.3817258 12.4806185 12.5702800
12.9879195 13.1696850 13.5111639 13.7850017 14.0507762
14.2724066 14.6068690 14.8194683 14.8374042 15.0627926
15.1462701 15.3342146 15.4446697 15.8178555 15.9693349
16.1401290 16.3259861 16.5076176 16.7562818 16.8666063
17.1935701 17.4385679 17.5154883 17.8758326 18.1024302
18.3888556 18.6805656 18.7322043 19.2567586 19.5559465
19.7650905 19.8661498 20.0970966 20.1881609 20.4727425
20.6517437 20.7986530 21.1674990 21.3648893 21.5441659
21.6680128 21.9100168 22.0422588 22.4936778 22.6958309
22.9471525 23.0607750 23.2394367 23.6721517 23.9439752
23.9696613 24.2075371 24.4254834 24.9191693 24.9615022
25.4822740 25.5323391 25.6249258 25.6728788 25.7807481
25.9825896 26.3720022 26.4949803 26.5976411 26.7887557
27.0582517 27.3529393 27.4894478 27.6359654 27.7792912
27.9467825 28.0394518 28.2000032 28.2915265 28.3823467
28.5164997 28.6263644 28.7225861 29.0044334 29.1149638
29.3858232 29.4875036 29.5483832 29.8923592 30.1092593
30.3709656 30.5696206 30.6766900 30.8763487 30.9642984
31.3494277 31.6443414 31.7830648 31.9530627 32.0105655
32.2003049 32.2579168 32.3993665 32.7144641 32.8038637
33.0841005 33.3166372 33.4872769 33.9189443 34.0675627
34.3512701 34.4385255 34.6151068 34.6970678 34.9391282
35.0215619 35.1283680 35.4048726 35.6085833 35.7501541
36.1299920 36.2754363 36.4432984 36.5927695 36.7720961
36.9648001 37.2117064 37.3191917 37.5898934 37.6312562
37.9737505 38.0605167 38.2066799 38.5435537 38.5640406
38.7919045 39.0007164 39.2090437 39.5454421 39.7572194
39.8196439 40.0355137 40.1510378 40.3924698 40.4597720
40.7002704 40.8307076 40.8657375 41.1239392 41.2539191
41.4867403 41.7129300 41.8703050 42.0065129 42.1511814
42.4920125 42.5877120 42.6485812 42.7620782 42.9401389
43.1535104 43.3371851 43.5011085 43.5462440 43.6798481
43.8393519 43.9823852 44.1094826 44.1784213 44.3311859
44.5004547 45.0072636 45.0893688 45.3255972 45.4836602
45.5644959 45.6769081 45.7582471 45.8546247 46.1713063
46.2453560 46.3073154 46.5434675 46.6419806 47.0335251
47.1347782 47.3578842 47.6773359 47.7738673 47.9239163
48.0294922 48.2839377 48.4711539 48.4963400 48.7745175
49.1038664 49.1404112 49.2586315 49.4106355 49.5859695
49.8230292 50.1711611 50.2542173 50.4251510 50.5836384
50.7250470 51.0681320 51.2877397 51.3132584 51.5259481
51.6388339 51.8600984 52.0391966 52.1872126 52.5345429
52.7548255 52.8445499 52.9048145 53.0806464 53.3204252
53.4152820 53.4821687 53.7420404 53.7842318 54.1257762
54.3009968 54.5365381 54.7261417 54.8683188 54.9246118
55.1031477 55.4026023 55.6851827 55.8098724 56.2255571
56.3209873 56.5070436 56.5919767 56.8002157 57.0216201
57.0972348 57.2282053 57.3791206 57.5435719 57.8001123
58.1763513 58.3392546 58.4697711 58.6194959 58.7507878
59.0535155 59.2660993 59.5077931 59.6503469 59.9427277
60.1565086 60.3254464 60.3763551 60.4715808 60.7256474
60.7399989 61.2048696 61.4842222 61.6340632 62.0055200
62.0356791 62.1392439 62.2797365 62.7350473 62.9175546
63.1488417 63.2217484 63.2803488 63.5263523 63.6166782
63.8041308 63.9408206 64.4922407 64.6517468 64.8454101
64.9226820 65.2798539 65.4359837 65.4999718 65.6680692
66.0916646 66.2816115 66.4190876 66.5774596 66.6656830
66.9126615 67.0259612 67.1518102 67.6846737 67.8471464
67.9325297 68.1936637 68.4678392 68.6407333 68.8057534
68.9418838 69.0426443 69.3712111 69.6359810 69.8084608
70.0137113 70.1565209 70.3345238 70.4803340 70.6506231
70.8660748 71.2149127 71.4627976 71.5511419 71.6929895
72.4500285 72.6481266 72.8019360 72.9993567 73.2866714
73.5348868 73.8405472 73.9302111 74.1297563 74.4691702
74.7361020 75.0211408 75.2876691 75.5309161 75.9072201
76.1691127 76.2469187 76.5192710 76.9976675 77.1108846
77.1803297 77.3771663 77.8062642 77.9336894 78.0776271
78.3032732 78.4872844 78.5139283 78.7364428 78.9886171
79.4614761 79.6045240 80.1840281 80.3548885 80.5383316
80.6290507 81.1532385 81.4172245 81.4575671 81.6462090
81.8471051 82.4008347 82.5642683 83.0121666 83.2537826
83.5061468 83.5282382 83.7804540 84.1564764 84.3908196
84.6908535 84.9348590 85.1109828 85.1719434 85.5885111
86.0451355 86.6092898 86.8105653 86.9692067 87.2710072
87.4475214 87.9343527 88.6700050 88.8722823 89.3207881
89.5476874 89.7450921 90.5118113 90.6505160 91.0058932
91.0666013 91.6015982 91.7810980 91.9788717 92.2965716
92.7232771 92.8395087 93.1313331 93.6208992 94.1282460
94.2085373 94.3892662 95.1416445 95.4049603 95.4810698
95.7974538 95.9215306 96.4400090 96.7262179 96.9893580
97.3317984 97.7101568 98.0808080 98.6964200 98.7902721
99.2880333 100.1274182 100.1588154 100.6362912 100.7513739
101.1001202 101.4317987 101.7213590 102.3747863 102.6809960
103.0840713 103.4882736 104.2762477 104.3814333 104.9614959
105.2822067 106.0354911 106.5225416 106.8100748 107.2534744
107.5497228 107.9973992 108.5135756 108.9001824 109.2120487
109.6789823 110.0927156 110.7914791 111.0885253 111.5162011
111.7034779 112.3166397 112.3788176 112.9911178 113.2225981
114.0225282 114.4785265 115.1802169 115.7014471 116.8118531
117.0107745 117.4601406 118.0209745 118.7414398 119.4249922
119.6488874 120.0801070 120.8362624 121.8624310 122.4667419
123.3121774 124.3093724 125.2415450 126.0603762 126.9620352
127.5129702 128.7926256 129.1521636 130.3724491 131.1285252
132.2276119 132.6990047 133.6234941 134.2540378 135.7326262
136.2430624 137.7149534 138.0070750 139.5777548 141.5881892
143.2574912 144.7880248 145.0146977 147.6026397 149.9936873
150.9919403 152.8481539 154.9312028 161.2684487
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034236 0.0034280 0.0034332 0.0034373 0.0034406
0.0034537 59.9412446 94.0092354 99.3169059 104.8493647
115.1789551 133.8369157 137.7500925 155.1935556 161.5536194
165.0547565 173.8924482 175.3943645 185.9757697 194.3138603
197.8358332 203.4135834 205.1891871 207.8943554 212.4396646
214.5801994 223.6514415 233.8314639 236.1375652 241.8974105
244.2484882 248.3865580 252.6494731 257.1826450 262.9238158
270.6549387 277.0374767 286.2523679 290.9457457 291.4390674
298.8577213 302.8461112 303.6517640 308.6344003 311.0054905
320.7512243 322.5905057 325.3699575 333.3052921 334.8957681
337.7566769 340.4344598 346.2270427 348.1924534 352.9125778
355.0147599 361.9748803 362.2166172 365.3637330 368.0080281
372.4656672 376.2711264 382.1077722 383.6306828 385.0062287
391.3497620 394.0787110 399.1550803 403.1797324 407.0478244
410.2455565 415.0246073 418.0339855 418.2868812 421.4519123
422.6181353 425.2321071 426.7608712 431.8859568 433.9490033
436.2634014 438.7680456 441.2020084 444.5126330 445.9735826
450.2754948 453.4722218 454.4712395 459.1223345 462.0231335
465.6639643 469.3429417 469.9911969 476.5262985 480.2138712
482.7749020 484.0075468 486.8127457 487.9144262 491.3413250
493.4846442 495.2367724 499.6087715 501.9328314 504.0343361
505.4809832 508.2959343 509.8275839 515.0216844 517.3307858
520.1872236 521.4734837 523.4896246 528.3407978 531.3655659
531.6505027 534.2820494 536.6817950 542.0783478 542.5385961
548.1688728 548.7071031 549.7010781 550.2151763 551.3698801
553.5240523 557.6565812 558.9553024 560.0371556 562.0455983
564.8656245 567.9332310 569.3486412 570.8639270 572.3423211
574.0651562 575.0161463 576.6600417 577.5950606 578.5214032
579.8870207 581.0030039 581.9786464 584.8270787 585.9403515
588.6595730 589.6771292 590.2855359 593.7113842 595.8614867
598.4454650 600.3994762 601.4499997 603.4040889 604.2628611
608.0091127 610.8622832 612.1997770 613.8348280 614.3869091
616.2050770 616.7560792 618.1068257 621.1052290 621.9533042
624.6042662 626.7954856 628.3985823 632.4357972 633.8198148
636.4535007 637.2613141 638.8929825 639.6489148 641.8762587
642.6330185 643.6121992 646.1402546 647.9964522 649.2833103
652.7234459 654.0359231 655.5474296 656.8904078 658.4980205
660.2211932 662.4224969 663.3785041 665.7801268 666.1463280
669.1708693 669.9349269 671.2200649 674.1726927 674.3518388
676.3411804 678.1590670 679.9678915 682.8785921 684.7046571
685.2419880 687.0968906 688.0874991 690.1531662 690.7278956
692.7777442 693.8869722 694.1845616 696.3741390 697.4737811
699.4391484 701.3432612 702.6650340 703.8070223 705.0179197
707.8625411 708.6592081 709.1654583 710.1084522 711.5853571
713.3511164 714.8676261 716.2183478 716.5898150 717.6882565
718.9974377 720.1694080 721.2092067 721.7725754 723.0194074
724.3984366 728.5117898 729.1759868 731.0836106 732.3572466
733.0077480 733.9113926 734.5645578 735.3377329 737.8725618
738.4640261 738.9585567 740.8403838 741.6239938 744.7303364
745.5315283 747.2938808 749.8100725 750.5687519 751.7465274
752.5741169 754.5649369 756.0263973 756.2227917 758.3885565
760.9447498 761.2278580 762.1429759 763.3179933 764.6711144
766.4967977 769.1700343 769.8064350 771.1145256 772.3253897
773.4041702 776.0152690 777.6820233 777.8754709 779.4859223
780.3393250 782.0093550 783.3585207 784.4717900 787.0779743
788.7263966 789.3968373 789.8468281 791.1582874 792.9432057
793.6482139 794.1449620 796.0720123 796.3844385 798.9090653
800.2011684 801.9348057 803.3276134 804.3704491 804.7829711
806.0899085 808.2772635 810.3359465 811.2426872 814.2582436
814.9489604 816.2939416 816.9071776 818.4087668 820.0022737
820.5457838 821.4863351 822.5687840 823.7467011 825.5808704
828.2634942 829.4223202 830.3495932 831.4120602 832.3426088
834.4842773 835.9849374 837.6878232 838.6905836 840.7435250
842.2414120 843.4232184 843.7790260 844.4441687 846.2162425
846.3162312 849.5486786 851.4852356 852.5221664 855.0873020
855.2952316 856.0088652 856.9760078 860.1028665 861.3530532
862.9347829 863.4327775 863.8328442 865.5102984 866.1253988
867.4005210 868.3291551 872.0653151 873.1430709 874.4498367
874.9706926 877.3742159 878.4227966 878.8521850 879.9791940
882.8128083 884.0804960 884.9968667 886.0513470 886.6382165
888.2790769 889.0307967 889.8650344 893.3886899 894.4603084
895.0229547 896.7415483 898.5424333 899.6762119 900.7570247
901.6476461 902.3062972 904.4507403 906.1751106 907.2966584
908.6294945 909.5557053 910.7088481 911.6523523 912.7530199
914.1436974 916.3908696 917.9843707 918.5516147 919.4616620
924.3034214 925.5662074 926.5454857 927.8009152 929.6249661
931.1979137 933.1312490 933.6976236 934.9568470 937.0948209
938.7728079 940.5613147 942.2306041 943.7515031 946.0995236
947.7302187 948.2141438 949.9061343 952.8709017 953.5711933
954.0004841 955.2162251 957.8611569 958.6451918 959.5300565
960.9155880 962.0439922 962.2072700 963.5697897 965.1115999
967.9960707 968.8669803 972.3871592 973.4226148 974.5331003
975.0818073 978.2462864 979.8360795 980.0788059 981.2129979
982.4194270 985.7370626 986.7141325 989.3868978 990.8257108
992.3263016 992.4575522 993.9547990 996.1828301 997.5688576
999.3406076 1000.7791883 1001.8162753 1002.1749858 1004.6227671
1007.2990903 1010.5958697 1011.7694746 1012.6935284 1014.4491310
1015.4745240 1018.2972378 1022.5478659 1023.7135386 1026.2934411
1027.5961479 1028.7281740 1033.1131943 1033.9044879 1035.9291133
1036.2745792 1039.3140675 1040.3318740 1041.4521458 1043.2492110
1045.6580051 1046.3131824 1047.9563417 1050.7071419 1053.5502716
1053.9995142 1055.0100220 1059.2064265 1060.6711536 1061.0941459
1062.8507008 1063.5387798 1066.4092450 1067.9904856 1069.4422129
1071.3284900 1073.4087606 1075.4427540 1078.8125255 1079.3253340
1082.0410432 1086.6052253 1086.7755770 1089.3629282 1089.9856210
1091.8704592 1093.6600386 1095.2199777 1098.7320283 1100.3739910
1102.5316399 1104.6910906 1108.8887506 1109.4478895 1112.5262991
1114.2246697 1118.2036520 1120.7688202 1122.2804301 1124.6074733
1126.1595599 1128.5009494 1131.1945844 1133.2078751 1134.8293444
1137.2527253 1139.3956903 1143.0058692 1144.5371165 1146.7381565
1147.7006506 1150.8463143 1151.1648214 1154.2966434 1155.4784186
1159.5530257 1161.8693512 1165.4247215 1168.0587191 1173.6503622
1174.6492542 1176.9026440 1179.7089611 1183.3042806 1186.7053246
1187.8172079 1189.9557541 1193.6965044 1198.7543581 1201.7229695
1205.8638157 1210.7297590 1215.2607979 1219.2270227 1223.5795729
1226.2314800 1232.3690384 1234.0879829 1239.9043744 1243.4944998
1248.6949560 1250.9187813 1255.2686779 1258.2268785 1265.1365603
1267.5131647 1274.3415102 1275.6923638 1282.9312513 1292.1376888
1299.7324169 1306.6570081 1307.6794264 1319.2962940 1329.9391509
1334.3573842 1342.5342659 1351.6514869 1379.0181570
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404260434292885739.eigenfacs
Openam> file on opening on unit 10:
2404260434292885739.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404260434292885739.atom
Openam> file on opening on unit 11:
2404260434292885739.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 = 183
First residue number = 97
Last residue number = 291
Number of atoms found = 183
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: 9.9400E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9656E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9958E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0020E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0039E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0115E-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: 0.7495
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8365
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9323
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: 1.519
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.609
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 2.042
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 2.213
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 2.310
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 2.564
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 2.609
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 2.933
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 3.202
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 3.319
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 3.509
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 3.570
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 3.665
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 3.827
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 3.905
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 4.242
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 4.637
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 4.729
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 4.962
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 5.059
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 5.232
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 5.413
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 5.609
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 5.862
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 6.212
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 6.509
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 6.949
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 7.178
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 7.203
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 7.574
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 7.778
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 7.819
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 8.078
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 8.202
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 8.725
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 8.825
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 8.978
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 9.421
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 9.511
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 9.674
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 9.828
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 10.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 10.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 10.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 10.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 11.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 11.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 11.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 11.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 11.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 12.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 12.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 12.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 12.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 12.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 13.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 13.51
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: 14.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 14.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 14.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 14.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 14.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 15.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 15.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 15.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 15.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 15.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 15.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 16.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 16.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 16.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 16.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 16.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 17.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 17.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 17.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 17.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 18.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 18.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 18.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 18.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 19.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 19.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 19.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 19.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 20.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 20.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 20.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 20.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 20.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 21.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 21.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 21.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 21.67
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 549 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= 0.599 for 183 C-alpha atoms.
Bfactors> = 1.781 +/- 2.92
Bfactors> = 27.074 +/- 13.82
Bfactors> Shiftng-fct= 25.293
Bfactors> Scaling-fct= 4.734
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404260434292885739 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=-80
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=-60
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=-40
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=-20
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=0
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=20
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=40
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=60
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=80
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=100
2404260434292885739.eigenfacs
2404260434292885739.atom
making animated gifs
11 models are in 2404260434292885739.7.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 2404260434292885739.7.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 2404260434292885739.7.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 2404260434292885739 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=-80
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=-60
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=-40
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=-20
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=0
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=20
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=40
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=60
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=80
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=100
2404260434292885739.eigenfacs
2404260434292885739.atom
making animated gifs
11 models are in 2404260434292885739.8.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 2404260434292885739.8.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 2404260434292885739.8.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 2404260434292885739 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=-80
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=-60
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=-40
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=-20
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=0
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=20
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=40
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=60
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=80
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=100
2404260434292885739.eigenfacs
2404260434292885739.atom
making animated gifs
11 models are in 2404260434292885739.9.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 2404260434292885739.9.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 2404260434292885739.9.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 2404260434292885739 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=-80
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=-60
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=-40
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=-20
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=0
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=20
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=40
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=60
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=80
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=100
2404260434292885739.eigenfacs
2404260434292885739.atom
making animated gifs
11 models are in 2404260434292885739.10.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 2404260434292885739.10.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 2404260434292885739.10.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 2404260434292885739 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=-80
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=-60
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=-40
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=-20
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=0
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=20
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=40
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=60
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=80
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=100
2404260434292885739.eigenfacs
2404260434292885739.atom
making animated gifs
11 models are in 2404260434292885739.11.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 2404260434292885739.11.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 2404260434292885739.11.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 2404260434292885739 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=-80
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=-60
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=-40
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=-20
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=0
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=20
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=40
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=60
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=80
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=100
2404260434292885739.eigenfacs
2404260434292885739.atom
making animated gifs
11 models are in 2404260434292885739.12.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 2404260434292885739.12.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 2404260434292885739.12.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 2404260434292885739 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=-80
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=-60
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=-40
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=-20
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=0
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=20
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=40
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=60
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=80
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=100
2404260434292885739.eigenfacs
2404260434292885739.atom
making animated gifs
11 models are in 2404260434292885739.13.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 2404260434292885739.13.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 2404260434292885739.13.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 2404260434292885739 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=-80
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=-60
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=-40
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=-20
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=0
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=20
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=40
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=60
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=80
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=100
2404260434292885739.eigenfacs
2404260434292885739.atom
making animated gifs
11 models are in 2404260434292885739.14.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 2404260434292885739.14.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 2404260434292885739.14.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 2404260434292885739 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=-80
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=-60
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=-40
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=-20
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=0
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=20
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=40
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=60
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=80
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=100
2404260434292885739.eigenfacs
2404260434292885739.atom
making animated gifs
11 models are in 2404260434292885739.15.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 2404260434292885739.15.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 2404260434292885739.15.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 2404260434292885739 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=-80
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=-60
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=-40
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=-20
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=0
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=20
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=40
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=60
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=80
2404260434292885739.eigenfacs
2404260434292885739.atom
calculating perturbed structure for DQ=100
2404260434292885739.eigenfacs
2404260434292885739.atom
making animated gifs
11 models are in 2404260434292885739.16.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 2404260434292885739.16.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 2404260434292885739.16.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
2404260434292885739.10.pdb
2404260434292885739.11.pdb
2404260434292885739.12.pdb
2404260434292885739.13.pdb
2404260434292885739.14.pdb
2404260434292885739.15.pdb
2404260434292885739.16.pdb
2404260434292885739.7.pdb
2404260434292885739.8.pdb
2404260434292885739.9.pdb
STDERR:
real 0m2.415s
user 0m2.403s
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: 2404260434292885739.Chkmod.res: No such file or directory
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
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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
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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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