*** ***
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 = 240504111940338308.atom
Pdbmat> Distance cutoff = 8.00
Force constant = 10.00
Origin of mass values = CONS
Pdbmat> Levelshift = 1.0E-09
PRINTing level = 2
Pdbmat> Coordinate file 240504111940338308.atom to be opened.
Openam> File opened: 240504111940338308.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 = 189
First residue number = 96
Last residue number = 1289
Number of atoms found = 193
Mean number per residue = 1.0
Pdbmat> Coordinate statistics:
= 97.474337 +/- 7.491572 From: 80.375000 To: 116.291000
= 82.796725 +/- 9.377332 From: 63.061000 To: 100.743000
= -30.675425 +/- 10.374665 From: -51.777000 To: -9.626000
Pdbmat> Masses are all set to one.
%Pdbmat-W> residue:'ZN ' is not a well known amino-acid.
%Pdbmat-W> 1 residue(s) not known.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijf
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 5.8621 % Filled.
Pdbmat> 9843 non-zero elements.
Pdbmat> 965 atom-atom interactions.
Pdbmat> Number per atom= 10.00 +/- 3.33
Maximum number = 17
Minimum number = 4
Pdbmat> Matrix trace = 19300.0
Pdbmat> Larger element = 78.4966
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 193 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) = 579
Diagstd> Number of non-zero elements 9843
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 19300.0000006
%Diagstd-Wn: Nb on non-zero elements there: 579
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 579 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 19300.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0594682 0.0716104 0.0969105 0.1203308
0.1291745 0.1363749 0.1705163 0.2106997 0.2569353
0.2814477 0.3161299 0.3543176 0.3964720 0.4195169
0.4878761 0.5480883 0.5718753 0.6194683 0.6534826
0.6972532 0.7381128 0.7777543 0.8017717 0.8837025
0.8995213 0.9363178 1.0114503 1.0635164 1.0778414
1.1566280 1.2961239 1.3791239 1.4623285 1.5072044
1.5540608 1.6121208 1.6239830 1.7038590 1.7544635
1.7979283 1.8694053 1.8922945 1.9721515 2.0331526
2.0723989 2.1475329 2.2618641 2.2832896 2.4410783
2.5785924 2.5928106 2.7577400 2.8211140 2.8663807
2.9457451 3.0925579 3.1320480 3.2357503 3.3040591
3.4039060 3.4301390 3.5324751 3.6083048 3.6775757
3.7467054 3.9852059 3.9917170 4.0809484 4.1437637
4.2309540 4.3976200 4.4716655 4.4896660 4.6374783
4.8088141 4.8876834 4.9755318 5.0270098 5.1410130
5.2011243 5.3094940 5.3593366 5.3800423 5.4891056
5.6098315 5.6922955 5.8419239 5.8585124 5.9808364
6.0756944 6.3109258 6.4497167 6.4928508 6.5845525
6.6827352 6.7377928 6.8686226 6.9097959 6.9810755
7.1018258 7.1888946 7.2065251 7.3472034 7.3753077
7.4503501 7.5587345 7.7997337 7.8807961 7.9090578
8.0233323 8.0913854 8.1736306 8.3504893 8.5146991
8.5564180 8.5690428 8.6566828 8.8441657 8.9211639
9.0981339 9.3312229 9.3778966 9.5335199 9.6153107
9.7267468 9.7429637 9.8455671 9.9371235 10.0612131
10.2297430 10.3992746 10.5360110 10.5679379 10.6875034
10.7568771 10.8514175 10.9027042 11.0438938 11.1121486
11.2195164 11.2962716 11.5782982 11.7232015 11.8080860
11.8668219 12.0132853 12.1205071 12.1730630 12.2853185
12.4945231 12.5380224 12.5835368 12.6343125 12.7020215
12.8832202 12.9681051 13.0049146 13.1078938 13.1890258
13.4638470 13.5528611 13.5920788 13.8280914 13.9665926
14.0453920 14.1516530 14.3527363 14.3850537 14.5890514
14.6666424 14.6939315 14.7711288 14.9523530 14.9917449
15.1776249 15.2797918 15.4140164 15.4684868 15.6811444
15.8256788 15.8790453 15.9704778 16.1683370 16.2526689
16.4252038 16.4978744 16.6551467 16.8210712 16.8980259
17.0391624 17.1255442 17.1406694 17.2605447 17.3412663
17.4324575 17.5527657 17.6915740 17.9078332 18.0254781
18.1334131 18.2772192 18.4906566 18.5412156 18.9014876
18.9829543 19.0313183 19.1881282 19.3598663 19.4276785
19.4931825 19.5334449 19.5753287 19.6894554 19.9281752
20.0532188 20.1595102 20.2300733 20.3313383 20.6148838
20.6578447 20.6778403 20.8696865 20.9852387 21.1248414
21.2455681 21.3536584 21.4593147 21.5772861 21.7116534
21.8544011 22.0837635 22.1569706 22.2176001 22.3634132
22.4090189 22.4718773 22.6453836 22.7493290 22.9689637
23.1478259 23.1836935 23.4280620 23.5408311 23.6525704
23.7491818 23.8612674 23.9420489 24.0030258 24.0889379
24.1502494 24.2790556 24.3382935 24.4187035 24.4498956
24.6197049 24.7237570 24.8869479 24.9766592 25.0610487
25.0697432 25.2972152 25.3368438 25.4753019 25.5502627
25.7124087 25.8445084 25.9468593 26.1011078 26.1669218
26.2962623 26.4775750 26.5005138 26.6003925 26.6865002
26.8290151 27.0483274 27.0885073 27.2752460 27.3608763
27.5067052 27.6940665 27.8284359 27.9855502 28.0589820
28.2536537 28.3046841 28.3665525 28.5408437 28.6520562
28.6812262 28.8155832 28.9656430 29.1431447 29.3591154
29.4874034 29.6056620 29.6843288 29.8154543 29.9009178
30.0152566 30.0857828 30.2412095 30.4396786 30.5683860
30.7561866 30.8658622 30.9593680 31.0064034 31.2378857
31.3386562 31.7054427 31.8027215 31.8672989 32.2221654
32.2541546 32.4003082 32.5625797 32.8070295 32.8400999
33.0084414 33.2293681 33.2785516 33.4070764 33.5862176
33.6714573 33.9675932 33.9955744 34.2663384 34.3902857
34.5034687 34.6426250 35.0375262 35.3073212 35.3867486
35.5458641 35.5707331 35.8208273 35.9077081 36.0730184
36.1814077 36.2319415 36.3434836 36.5387027 36.7989617
36.9197323 37.0787743 37.1427966 37.2728157 37.5554866
37.5664563 37.7688648 37.9464013 38.0727856 38.3550819
38.3649290 38.4414773 38.7282332 38.7806410 38.9565109
39.1397399 39.2758055 39.4512143 39.6601328 39.7203091
40.0287189 40.1579381 40.4860390 40.6188985 40.6704514
40.9592023 41.2479339 41.2565800 41.3626387 41.6409012
41.7617736 41.8213476 42.0976509 42.2361911 42.3814701
42.4877161 42.6033172 42.7589281 43.1595185 43.2354997
43.6971306 43.9287305 44.1112632 44.3981851 44.5163882
44.5665691 44.7087230 44.7841147 44.9457988 45.2655928
45.4060865 45.5879876 45.6866954 45.8445163 46.0268495
46.1646612 46.3556251 46.4937045 46.6676538 46.9437525
47.1134072 47.3702876 47.6938975 47.7306626 47.8935044
48.0080827 48.1780057 48.2529908 48.4782911 48.6344428
48.8061056 48.9775531 49.2776499 49.4139645 49.5283136
49.8066585 49.9281494 50.1046340 50.3771338 50.5212514
50.6585355 50.8539343 51.1082617 51.3871735 51.5302039
51.5961052 51.6647982 51.8280111 52.0199009 52.2039481
52.3910072 52.5343062 52.8053820 52.9281045 53.0968189
53.2645287 53.3243118 53.3454671 53.6460013 53.7620133
53.9018913 54.1015289 54.3525644 54.5407541 54.9086224
55.1035590 55.4733476 55.6630037 55.7919309 55.8458221
56.2276217 56.2806529 56.5268263 56.7475303 56.8308128
57.1217690 57.3249828 57.4080187 57.5663849 57.7346987
57.9067121 57.9435389 58.0954182 58.4638243 58.7540951
58.9769470 59.2855663 59.3868243 59.7163269 60.0772407
60.1123207 60.3224169 60.4707813 60.7838787 61.1085286
61.2224749 61.4109273 61.6945408 61.8603614 62.4755830
62.6166929 63.0717170 63.2287447 63.4929168 63.6230879
64.0809130 64.2136318 64.3711389 64.7363340 64.8786715
65.3073194 65.6997593 65.9109407 66.1961706 66.4192592
66.8643268 66.8994020 67.1870396 67.7738495 68.0521156
68.1323805 68.4069786 68.8131934 69.1015804 69.4121895
69.9285761 70.3766880 70.5867829 71.0327326 71.1295243
71.7238833 71.9874881 72.3219055 72.8418310 73.4144046
73.6514450 74.0066027 74.1083839 74.5581965 74.8987663
75.3183147 76.0977029 76.3199772 76.4234521 76.5695521
76.8749956 77.0279802 77.8290790 78.4584240 78.6447928
79.3734153 79.7354837 80.0514364 80.6147592 81.0909458
81.2187383 81.5602504 82.1619225 82.7409333 83.0863569
83.4772603 84.1075079 84.7678652 85.3605464 85.8706557
86.1779636 87.2776827 87.9007532 88.3944277 89.0607979
89.7716089 90.1030069 90.7350813 91.0660968 91.5136048
92.0833105 93.1985708 93.8915287 94.5055907 95.2102538
96.0639525 97.1918545 98.0217156 99.8682797 102.7052945
103.3359050 104.0235792 109.5818524 111.2101280
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034216 0.0034267 0.0034304 0.0034328 0.0034356
0.0034412 26.4811921 29.0591704 33.8049808 37.6689722
39.0286662 40.1016798 44.8413028 49.8456454 55.0436384
57.6095070 61.0559630 64.6385596 68.3756613 70.3347637
75.8490306 80.3934287 82.1194327 85.4682522 87.7833794
90.6756200 93.2946294 95.7671366 97.2345600 102.0817989
102.9914127 105.0768218 109.2112951 111.9869384 112.7386165
116.7863638 123.6284822 127.5254658 131.3160306 133.3157172
135.3721358 137.8777121 138.3840430 141.7464229 143.8359507
145.6067340 148.4728402 149.3790346 152.4984476 154.8389675
156.3262668 159.1348126 163.3159245 164.0876080 169.6626058
174.3759681 174.8560545 180.3316414 182.3919215 183.8494003
186.3772352 190.9651853 192.1805731 195.3362203 197.3872907
200.3475597 201.1180914 204.0961613 206.2751398 208.2457239
210.1938727 216.7807239 216.9577418 219.3692916 221.0511472
223.3646457 227.7215493 229.6306911 230.0924130 233.8493817
238.1300898 240.0749321 242.2228073 243.4726298 246.2179045
247.6531737 250.2199016 251.3916204 251.8767763 254.4169692
257.1995411 259.0830484 262.4661064 262.8384855 265.5683052
267.6660198 272.7983994 275.7817976 276.7024414 278.6495922
280.7193874 281.8734084 284.5968618 285.4485823 286.9171105
289.3878470 291.1563983 291.5132042 294.3447623 294.9071846
296.4037010 298.5518902 303.2739918 304.8458769 305.3919994
307.5903244 308.8920448 310.4579480 313.7987746 316.8691304
317.6444529 317.8787063 319.5001245 322.9413935 324.3441270
327.5453536 331.7145820 332.5431462 335.2910179 336.7262254
338.6718384 338.9540468 340.7341393 342.3147588 344.4454518
347.3182805 350.1844069 352.4791138 353.0127630 355.0041357
356.1544574 357.7161246 358.5604587 360.8746632 361.9881049
363.7327023 364.9747702 369.5027244 371.8077131 373.1513639
374.0782806 376.3796861 378.0556003 378.8743598 380.6172701
383.8443241 384.5119140 385.2091925 385.9855861 387.0184799
389.7691804 391.0511255 391.6057249 393.1531305 394.3679735
398.4555350 399.7705274 400.3485157 403.8093787 405.8266030
406.9698283 408.5064014 411.3984327 411.8613362 414.7714047
415.8729106 416.2596217 417.3516379 419.9040375 420.4567921
423.0553460 424.4768387 426.3371612 427.0897969 430.0155474
431.9927453 432.7205042 433.9645310 436.6444625 437.7817207
440.0992855 441.0717849 443.1691403 445.3711741 446.3887758
448.2490737 449.3838601 449.5822629 451.1516272 452.2053379
453.3927668 454.9545975 456.7499587 459.5331021 461.0400740
462.4183485 464.2483200 466.9511477 467.5891041 472.1100804
473.1263999 473.7287220 475.6763792 477.8003431 478.6364123
479.4426382 479.9375182 480.4517853 481.8502987 484.7625340
486.2810284 487.5680834 488.4206395 489.6415498 493.0440542
493.5575322 493.7963424 496.0817416 497.4532093 499.1051016
500.5292412 501.8008882 503.0407930 504.4216169 505.9897614
507.6504022 510.3073501 511.1524791 511.8513503 513.5282320
514.0515839 514.7720492 516.7555157 517.9401478 520.4343832
522.4567974 522.8614145 525.6098100 526.8732820 528.1222348
529.1997212 530.4470442 531.3441909 532.0203893 532.9716472
533.6494799 535.0707062 535.7230617 536.6073060 536.9499236
538.8113081 539.9487169 541.7277710 542.7032901 543.6193423
543.7136332 546.1747745 546.6024034 548.0938766 548.8996645
550.6386119 552.0512765 553.1433282 554.7850512 555.4840571
556.8552159 558.7716764 559.0136689 560.0661208 560.9718794
562.4677740 564.7620257 565.1813430 567.1260793 568.0156243
569.5273268 571.4636954 572.8483664 574.4631899 575.2163683
577.2083288 577.7293564 578.3604132 580.1344870 581.2636670
581.5594772 582.9200419 584.4358756 586.2238541 588.3920058
589.6761267 590.8573855 591.6418641 592.9471637 593.7963720
594.9306046 595.6291427 597.1657052 599.1220612 600.3873523
602.2288045 603.3016135 604.2147503 604.6735570 606.9264938
607.9046498 611.4517479 612.3890594 613.0104909 616.4142097
616.7201122 618.1158086 619.6617396 621.9833149 622.2967247
623.8896619 625.9740384 626.4371262 627.6456383 629.3262238
630.1243125 632.8891756 633.1497967 635.6662158 636.8148350
637.8618956 639.1468845 642.7794712 645.2494821 645.9748512
647.4255257 647.6519658 649.9247652 650.7124606 652.2086014
653.1877181 653.6437058 654.6490723 656.4049420 658.7385250
659.8185971 661.2382460 661.8088650 662.9661905 665.4753556
665.5725386 667.3631864 668.9298525 670.0428956 672.5223741
672.6086991 673.2793812 675.7858947 676.2429832 677.7746273
679.3666882 680.5465408 682.0645343 683.8681260 684.3867456
687.0385813 688.1466232 690.9520743 692.0848637 692.5239164
694.9779493 697.4231840 697.4962745 698.3922290 700.7374689
701.7537588 702.2541133 704.5701043 705.7284954 706.9411937
707.8267535 708.7890311 710.0822968 713.4007736 714.0284587
717.8302240 719.7300021 721.2237632 723.5655630 724.5281115
724.9363570 726.0916012 726.7035422 728.0141694 730.5995262
731.7324520 733.1966821 733.9900169 735.2566783 736.7173619
737.8194617 739.3439123 740.4442348 741.8280722 744.0192661
745.3624958 747.3917355 749.9402917 750.2292836 751.5079656
752.4063657 753.7367477 754.3230843 756.0820568 757.2987716
758.6340963 759.9654038 762.2900908 763.3437071 764.2264252
766.3708603 767.3049761 768.6599043 770.7472926 771.8489720
772.8969534 774.3861182 776.3201082 778.4355218 779.5181124
780.0164107 780.5354796 781.7673921 783.2132762 784.5975632
786.0020053 787.0762014 789.1042361 790.0206635 791.2788027
792.5274705 792.9721043 793.1293866 795.3603891 796.2199268
797.2550561 798.7300973 800.5810386 801.9658022 804.6658199
806.0929170 808.7931563 810.1745551 811.1122795 811.5039245
814.2731932 814.6570944 816.4368185 818.0291181 818.6291671
820.7220554 822.1806409 822.7758952 823.9099715 825.1135750
826.3418223 826.6045440 827.6871666 830.3073656 832.3660366
833.9431076 836.1222228 836.8359544 839.1542988 841.6863211
841.9320217 843.4020398 844.4385869 846.6218738 848.8797891
849.6708540 850.9775599 852.9403267 854.0858104 858.3223849
859.2911589 862.4076635 863.4805511 865.2824986 866.1690312
869.2798756 870.1795983 871.2461597 873.7140730 874.6740750
877.5587670 880.1914983 881.6049814 883.5104967 884.9980096
887.9581927 888.1910612 890.0984258 893.9770238 895.8103909
896.3385226 898.1429903 900.8057230 902.6913279 904.7178355
908.0768888 910.9817836 912.3405428 915.2179757 915.8413174
919.6597468 921.3481968 923.4857755 926.7993215 930.4347474
931.9356301 934.1798906 934.8220581 937.6547921 939.7938800
942.4223500 947.2858581 948.6683167 949.3112024 950.2181761
952.1115470 953.0584482 958.0015810 961.8671002 963.0088240
967.4595461 969.6636086 971.5828604 974.9953866 977.8707666
978.6409847 980.6963424 984.3070066 987.7692177 989.8289206
992.1546539 995.8929611 999.7948684 1003.2839703 1006.2772859
1008.0762757 1014.4879284 1018.1026752 1020.9576424 1024.7987125
1028.8801408 1030.7774818 1034.3866257 1036.2717087 1038.8147604
1042.0432442 1048.3345678 1052.2246832 1055.6599141 1059.5882694
1064.3280452 1070.5580335 1075.1187349 1085.1982002 1100.5041796
1103.8775574 1107.5444792 1136.7490476 1145.1633770
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 240504111940338308.eigenfacs
Openam> file on opening on unit 10:
240504111940338308.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 240504111940338308.atom
Openam> file on opening on unit 11:
240504111940338308.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 = 189
First residue number = 96
Last residue number = 1289
Number of atoms found = 193
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: 9.9280E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9579E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9795E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9934E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0009E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0042E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 5.9468E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 7.1610E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 9.6910E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1203
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1292
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1364
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1705
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2107
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2569
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2814
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3161
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3543
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3965
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4195
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4879
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5481
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5719
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6195
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6535
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6973
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7381
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7778
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8018
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8837
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8995
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9363
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 1.011
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 1.064
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 1.078
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 1.157
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 1.296
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 1.379
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 1.462
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 1.507
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 1.554
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 1.612
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 1.624
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 1.704
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 1.754
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 1.798
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 1.869
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 1.892
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 1.972
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 2.033
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 2.072
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 2.148
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 2.262
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 2.283
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 2.441
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 2.579
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 2.593
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 2.758
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 2.821
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 2.866
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 2.946
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 3.093
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 3.132
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 3.236
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 3.304
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 3.404
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 3.430
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 3.532
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 3.608
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 3.678
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 3.747
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 3.985
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 3.992
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 4.081
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 4.144
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 4.231
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 4.398
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 4.472
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 4.490
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 4.637
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 4.809
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 4.888
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 4.976
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 5.027
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 5.141
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 5.201
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 5.309
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 5.359
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 5.380
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 5.489
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 5.610
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 5.692
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 5.842
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 5.859
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 5.981
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 6.076
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 6.311
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 6.450
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 6.493
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 6.585
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 6.683
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 6.738
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 6.869
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 6.910
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 6.981
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 7.102
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 579 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 : 0.059468
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= 0.618 for 192 C-alpha atoms.
Bfactors> = 11.070 +/- 15.74
Bfactors> = 19.381 +/- 8.86
Bfactors> Shiftng-fct= 8.311
Bfactors> Scaling-fct= 0.563
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 240504111940338308 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=-80
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=-60
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=-40
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=-20
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=0
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=20
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=40
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=60
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=80
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=100
240504111940338308.eigenfacs
240504111940338308.atom
making animated gifs
11 models are in 240504111940338308.7.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 240504111940338308.7.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 240504111940338308.7.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 240504111940338308 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=-80
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=-60
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=-40
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=-20
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=0
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=20
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=40
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=60
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=80
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=100
240504111940338308.eigenfacs
240504111940338308.atom
making animated gifs
11 models are in 240504111940338308.8.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 240504111940338308.8.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 240504111940338308.8.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 240504111940338308 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=-80
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=-60
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=-40
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=-20
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=0
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=20
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=40
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=60
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=80
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=100
240504111940338308.eigenfacs
240504111940338308.atom
making animated gifs
11 models are in 240504111940338308.9.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 240504111940338308.9.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 240504111940338308.9.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 240504111940338308 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=-80
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=-60
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=-40
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=-20
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=0
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=20
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=40
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=60
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=80
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=100
240504111940338308.eigenfacs
240504111940338308.atom
making animated gifs
11 models are in 240504111940338308.10.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 240504111940338308.10.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 240504111940338308.10.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 240504111940338308 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=-80
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=-60
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=-40
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=-20
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=0
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=20
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=40
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=60
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=80
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=100
240504111940338308.eigenfacs
240504111940338308.atom
making animated gifs
11 models are in 240504111940338308.11.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 240504111940338308.11.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 240504111940338308.11.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 240504111940338308 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=-80
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=-60
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=-40
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=-20
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=0
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=20
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=40
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=60
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=80
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=100
240504111940338308.eigenfacs
240504111940338308.atom
making animated gifs
11 models are in 240504111940338308.12.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 240504111940338308.12.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 240504111940338308.12.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 240504111940338308 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=-80
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=-60
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=-40
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=-20
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=0
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=20
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=40
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=60
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=80
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=100
240504111940338308.eigenfacs
240504111940338308.atom
making animated gifs
11 models are in 240504111940338308.13.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 240504111940338308.13.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 240504111940338308.13.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 240504111940338308 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=-80
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=-60
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=-40
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=-20
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=0
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=20
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=40
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=60
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=80
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=100
240504111940338308.eigenfacs
240504111940338308.atom
making animated gifs
11 models are in 240504111940338308.14.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 240504111940338308.14.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 240504111940338308.14.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 240504111940338308 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=-80
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=-60
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=-40
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=-20
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=0
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=20
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=40
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=60
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=80
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=100
240504111940338308.eigenfacs
240504111940338308.atom
making animated gifs
11 models are in 240504111940338308.15.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 240504111940338308.15.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 240504111940338308.15.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 240504111940338308 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=-80
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=-60
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=-40
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=-20
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=0
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=20
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=40
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=60
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=80
240504111940338308.eigenfacs
240504111940338308.atom
calculating perturbed structure for DQ=100
240504111940338308.eigenfacs
240504111940338308.atom
making animated gifs
11 models are in 240504111940338308.16.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 240504111940338308.16.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 240504111940338308.16.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
240504111940338308.10.pdb
240504111940338308.11.pdb
240504111940338308.12.pdb
240504111940338308.13.pdb
240504111940338308.14.pdb
240504111940338308.15.pdb
240504111940338308.16.pdb
240504111940338308.7.pdb
240504111940338308.8.pdb
240504111940338308.9.pdb
STDERR:
real 0m2.748s
user 0m2.740s
sys 0m0.008s
../../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: 240504111940338308.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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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