*** ***
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 = 2404140143224110834.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 2404140143224110834.atom to be opened.
Openam> File opened: 2404140143224110834.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 = 205
First residue number = 88
Last residue number = 292
Number of atoms found = 213
Mean number per residue = 1.0
Pdbmat> Coordinate statistics:
= 0.654239 +/- 8.914656 From: -22.499000 To: 20.356000
= 0.490624 +/- 8.921155 From: -22.297000 To: 20.234000
= -0.374761 +/- 10.700142 From: -18.370000 To: 22.385000
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 5.4886 % Filled.
Pdbmat> 11223 non-zero elements.
Pdbmat> 1105 atom-atom interactions.
Pdbmat> Number per atom= 10.38 +/- 3.87
Maximum number = 24
Minimum number = 2
Pdbmat> Matrix trace = 22100.0
Pdbmat> Larger element = 99.1296
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 213 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) = 639
Diagstd> Number of non-zero elements 11223
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 22100.0000006
%Diagstd-Wn: Nb on non-zero elements there: 639
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 639 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 22100.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0297479
0.0662269 0.0759984 0.0912612 0.1335412 0.1503135
0.1776583 0.1907154 0.2092489 0.2373622 0.2706153
0.2954111 0.3139874 0.3399608 0.3825706 0.4133486
0.4657043 0.5246772 0.5541768 0.6048380 0.6335243
0.6915108 0.7899011 0.8715977 0.8864206 0.9258687
0.9479119 0.9882073 1.0098935 1.1088399 1.1404061
1.2603383 1.2906133 1.3460639 1.4053111 1.4529544
1.5551989 1.5735811 1.6586497 1.7373638 1.8056566
1.8319568 1.9205935 2.0176765 2.0862970 2.1066928
2.1874197 2.2061348 2.3262412 2.4030730 2.4136385
2.5166846 2.5607989 2.7621855 2.7670053 2.8161577
2.8561449 2.9498278 3.0532877 3.0759906 3.1320279
3.1970590 3.2282023 3.3704209 3.4458916 3.5307103
3.6095048 3.7176651 3.7686633 3.9171038 3.9980805
4.1222037 4.2006615 4.3075091 4.3695155 4.4489430
4.5106190 4.6201936 4.6972483 4.7489889 4.8467891
4.8680195 5.0086335 5.1534887 5.1850383 5.3409732
5.4280982 5.5397356 5.6522899 5.6976203 5.7206947
5.8929983 5.9404052 6.0458167 6.1131743 6.2426925
6.2603825 6.3667483 6.4089887 6.5398331 6.6184661
6.7742057 6.8340325 6.8793711 6.9954774 7.0520461
7.1422120 7.2479760 7.3725454 7.4262622 7.4860307
7.5282194 7.6435487 7.7760457 7.8437196 7.9156852
7.9515472 8.0929639 8.2630568 8.2973249 8.3365495
8.4929354 8.5801347 8.6293650 8.6674023 8.7532713
8.9192190 8.9881095 9.0858210 9.3549082 9.4820839
9.5270137 9.6244409 9.6909185 9.7646728 9.8267166
9.9539755 9.9905280 10.0621323 10.2936786 10.3357428
10.4619407 10.5959805 10.8183609 10.8373214 10.8777773
11.0194551 11.1442073 11.3490927 11.3745474 11.5581392
11.6799007 11.8188345 11.9551223 11.9835047 12.0915395
12.2460830 12.3502791 12.4153358 12.5144208 12.5960420
12.6603046 12.8112041 12.8245790 13.0368213 13.0661608
13.1053330 13.2993030 13.5233514 13.5471159 13.6152659
13.7322879 13.8984191 13.9484887 14.0694379 14.1775038
14.2665270 14.3623073 14.4425008 14.5940673 14.6750860
14.8354459 14.9080323 15.0103555 15.1967176 15.2976729
15.3489293 15.5015649 15.6157209 15.6464714 15.7888721
16.0369475 16.1393376 16.1684300 16.2743401 16.4718536
16.5779891 16.7492410 16.7972963 16.9825073 17.0604937
17.1278933 17.2060453 17.3648950 17.4496118 17.5636761
17.7372695 17.7848600 17.9741549 18.0901095 18.2260864
18.2999858 18.4166091 18.5750591 18.6297851 18.8421285
18.9213093 19.0504702 19.1764690 19.2047008 19.2967409
19.3441488 19.5049968 19.6696358 19.6895022 19.7742276
19.8518306 19.9937416 20.2051099 20.2534462 20.4380197
20.5297855 20.7230926 20.7604324 20.9100456 21.0720105
21.1178654 21.1993750 21.2078776 21.3565189 21.5312851
21.6628644 21.7169176 21.8973122 21.9789042 22.1335922
22.1974418 22.2729155 22.4263315 22.5013538 22.5833834
22.7905618 22.9881068 23.1321249 23.2315796 23.3853712
23.5049925 23.5554589 23.6815810 23.7857574 24.0000815
24.0903135 24.2569872 24.3412222 24.4456139 24.4950508
24.5722775 24.6553024 24.7461762 24.8494080 24.8861711
24.9922202 25.1491950 25.2000330 25.2753936 25.3773823
25.4121430 25.6091716 25.6164964 25.7662142 25.8500527
25.9234964 26.0794131 26.1866183 26.2488645 26.2649814
26.3480429 26.5523288 26.5842538 26.7078094 26.7335159
26.8438878 26.8720935 26.9501411 27.0940302 27.1245384
27.2063344 27.2988510 27.3986768 27.4714212 27.5560090
27.7148125 27.7344699 27.7588964 27.8756660 27.9157185
28.0799493 28.1209696 28.1514778 28.3884673 28.4135126
28.5581748 28.6639511 28.7792758 28.8179272 28.9244197
29.2152801 29.3914423 29.5269191 29.6312396 29.7798896
29.8408296 30.0439660 30.1526637 30.1807853 30.2797590
30.5058771 30.6947823 30.7347092 30.9052067 31.0160720
31.0917713 31.2946494 31.5243642 31.6655071 31.7974925
32.0260487 32.2344796 32.3732436 32.4285860 32.6443897
32.7570492 32.9977586 33.0767912 33.1647280 33.3937878
33.6955146 33.8729420 33.9961471 34.0757092 34.3160345
34.3663434 34.5199967 34.6467433 34.7066628 34.7875855
34.8857365 35.0200976 35.1690973 35.3457466 35.4118253
35.7180532 35.8010334 35.9997838 36.0605625 36.3990236
36.4918207 36.5586042 36.9545136 37.0610796 37.1683073
37.3248261 37.5182443 37.5858689 37.6972672 37.8400483
38.0024623 38.1716632 38.3342678 38.3917665 38.4512972
38.6131732 38.6909146 38.9053762 38.9944589 39.1250751
39.2406353 39.5654916 39.7459965 39.9365125 40.0238517
40.1250109 40.2270606 40.2986424 40.4631006 40.6132011
40.7828403 40.8366395 41.0593323 41.2696913 41.2850015
41.4589291 41.5597580 41.8054415 41.9356637 42.1246305
42.2533410 42.3118856 42.6171156 42.7622468 42.9001085
43.1886605 43.3289900 43.4573187 43.6618020 43.8078260
43.8838379 44.0997227 44.1973359 44.3495033 44.5651742
44.5888245 44.8159695 44.8783147 45.0644190 45.2033233
45.3539343 45.6200626 45.7055209 45.7791225 45.9032269
46.0677437 46.1983996 46.4253747 46.6690036 46.8030040
47.1124034 47.1567833 47.3183721 47.4107278 47.5502739
47.5907810 47.8838411 47.9098207 48.1823463 48.3770551
48.4954424 48.6102050 48.9471034 49.1314889 49.1783460
49.3929859 49.6353849 49.7050893 49.8559538 49.9133390
50.1903191 50.4816304 50.7554849 50.7947313 50.9079966
51.1078816 51.2424861 51.5013183 51.5838115 51.7685975
51.8901111 52.0486195 52.1989690 52.3311439 52.6089748
52.6904549 53.0172119 53.1878116 53.2515771 53.3531254
53.4722217 53.6041536 53.7309010 54.1940114 54.4064704
54.6827380 54.8760913 54.9749508 55.2392364 55.2594787
55.4455258 55.9594350 56.0957749 56.1642683 56.4594172
56.5621096 56.7204323 56.8387052 56.9228337 57.1943405
57.4429977 57.6555040 57.7533734 57.9069639 57.9956266
58.3079977 58.5070725 58.9061003 59.0825753 59.1560683
59.3641079 59.7324315 59.9347703 59.9851070 60.1549558
60.4259535 60.4838217 61.0851690 61.1551430 61.5029435
61.6962285 61.8635004 62.1331118 62.1765758 62.4986023
62.5919103 62.8652905 62.9966413 63.4618886 63.6838558
63.7770703 63.9448573 64.1215128 64.7562622 64.8658784
65.0716612 65.2367651 65.4945364 66.0225148 66.0335979
66.4570678 66.6055951 66.8362938 67.1907087 67.4638006
67.8036092 68.3863655 68.4834532 68.5249534 68.7598431
69.0651718 69.1134844 69.3877828 69.5427784 69.9605582
70.1217709 70.4561643 70.6846622 70.8722018 71.1925826
71.4165322 71.7526343 72.3400901 72.5184606 72.6728380
72.9220645 73.1198797 73.2808884 73.8240678 73.9572058
74.3382606 74.5257350 74.8773019 75.0121595 75.5467013
75.7182419 75.9814205 76.0688923 77.1799018 77.4829165
77.9468798 77.9890180 78.3784431 78.8787319 79.4104296
79.6531567 80.0997603 80.5468963 80.7891492 81.0856862
82.1433859 82.3930350 82.7993647 83.1896942 83.4799961
84.2023769 84.6340756 85.1321901 85.8506149 86.0345167
86.7090789 86.8268918 87.0971415 87.6108051 87.9049792
88.5257743 89.3293288 89.8420976 90.3204575 90.5109695
90.7606245 91.2233674 92.2032808 92.4922686 93.0696001
93.1496750 93.9191835 94.4789390 95.3642692 95.6743497
96.4854045 97.5609615 98.4915392 101.7839217 102.1232395
104.2919679 105.0738025 107.1161159 107.2920419 108.2722490
114.7411943 124.5950760 133.8519564 136.1182776
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034218 0.0034266 0.0034275 0.0034325 0.0034347
0.0034365 0.0034387 0.0034398 0.0034407 18.7293711
27.9455420 29.9362543 32.8048796 39.6828522 42.1011824
45.7707522 47.4229007 49.6737431 52.9055327 56.4899868
59.0212861 60.8487111 63.3154508 67.1662472 69.8157642
74.1054931 78.6577252 80.8387259 84.4529503 86.4324716
90.3014570 96.5120748 101.3802383 102.2386725 104.4888591
105.7253844 107.9491705 109.1272168 114.3482971 115.9644977
121.9098648 123.3653947 125.9876928 128.7305167 130.8944604
135.4216960 136.2196779 139.8532689 143.1332928 145.9193407
146.9781888 150.4918595 154.2485354 156.8495768 157.6143964
160.6058417 161.2914351 165.6237647 168.3366835 168.7063346
172.2700092 173.7732873 180.4769309 180.6343220 182.2316332
183.5208455 186.5063461 189.7488470 190.4529851 192.1799563
194.1648467 195.1082594 199.3596891 201.5793713 204.0451707
206.3094349 209.3776934 210.8089038 214.9204899 217.1306066
220.4753326 222.5635938 225.3763712 226.9927173 229.0465224
230.6287002 233.4131769 235.3515376 236.6441968 239.0684918
239.5915151 243.0272127 246.5164723 247.2699065 250.9605636
252.9991887 255.5876118 258.1710231 259.2041977 259.7285353
263.6109449 264.6691450 267.0070754 268.4903421 271.3196532
271.7038010 274.0022439 274.9096807 277.7017472 279.3662598
282.6340424 283.8793496 284.8194537 287.2129111 288.3718416
290.2095159 292.3503732 294.8519518 295.9241580 297.1126084
297.9486454 300.2221962 302.8131163 304.1279334 305.5199243
306.2112208 308.9221727 312.1516612 312.7982607 313.5367463
316.4639106 318.0843732 318.9956052 319.6978817 321.2776207
324.3087708 325.5588145 327.3236382 332.1353078 334.3853002
335.1765884 336.8860563 338.0475182 339.3314619 340.4077938
342.6048944 343.2333673 344.4611849 348.4019539 349.1130849
351.2379278 353.4808208 357.1708545 357.4837099 358.1503345
360.4751572 362.5098999 365.8270809 366.2371047 369.1809144
371.1204236 373.3211597 375.4674496 375.9128792 377.6035592
380.0089971 381.6222314 382.6260334 384.1498414 385.4005495
386.3824197 388.6782650 388.8811015 392.0858201 392.5267696
393.1147244 396.0132533 399.3350655 399.6857863 400.6898522
402.4081157 404.8349346 405.5634962 407.3180482 408.8793389
410.1610463 411.5355784 412.6829058 414.8426998 415.9926032
418.2592776 419.2812517 420.7176860 423.3213544 424.7251380
425.4360840 427.5462003 429.1175730 429.5398738 431.4900977
434.8666813 436.2527049 436.6457185 438.0734916 440.7238138
442.1414238 444.4192337 445.0563189 447.5032407 448.5295676
449.4146797 450.4388191 452.5133134 453.6157918 455.0959697
457.3394477 457.9525748 460.3832566 461.8658774 463.5984687
464.5373697 466.0152353 468.0156575 468.7045863 471.3681790
472.3575625 473.9670275 475.5318403 475.8817533 477.0207418
477.6063504 479.5879046 481.6077193 481.8508708 482.8864784
483.8330826 485.5593462 488.1191973 488.7027084 490.9244774
492.0253583 494.3363695 494.7815288 496.5611868 498.4806071
499.0226861 499.9848080 500.0850652 501.8344969 503.8836380
505.4209276 506.0510991 508.1485442 509.0943752 510.8827420
511.6190931 512.4881351 514.2501166 515.1095528 516.0476250
518.4093136 520.6512116 522.2795781 523.4011232 525.1307071
526.4720724 527.0369506 528.4460146 529.6070681 531.9877575
532.9868649 534.8274749 535.7552933 536.9029061 537.4455265
538.2920745 539.2007001 540.1934713 541.3190412 541.7193160
542.8723210 544.5745293 545.1246675 545.9391557 547.0395066
547.4140319 549.5320738 549.6106573 551.2144409 552.1104870
552.8942438 554.5544400 555.6930809 556.3531366 556.5239112
557.4032045 559.5599070 559.8961973 561.1958033 561.4658163
562.6236555 562.9191605 563.7360422 565.2389557 565.5570993
566.4091969 567.3714321 568.4078603 569.1619311 570.0375167
571.6777019 571.8804035 572.1321839 573.3342762 573.7460192
575.4312457 575.8513979 576.1636819 578.5837781 578.8389456
580.3106008 581.3843104 582.5526888 582.9437499 584.0198493
586.9489196 588.7158515 590.0711037 591.1125639 592.5934158
593.1994318 595.2150599 596.2908186 596.5688157 597.5461983
599.7731756 601.6273330 602.0184965 603.6860031 604.7678259
605.5053884 607.4776793 609.7031633 611.0665404 612.3387132
614.5354780 616.5319849 617.8575930 618.3854838 620.4396685
621.5093505 623.7886961 624.5352650 625.3648973 627.5207941
630.3493755 632.0067832 633.1551302 633.8955926 636.1269983
636.5931230 638.0146532 639.1848747 639.7373519 640.4827301
641.3856344 642.6195834 643.9852067 645.6005026 646.2036951
648.9917414 649.7451732 651.5462153 652.0959886 655.1490980
655.9836976 656.5836797 660.1293243 661.0804488 662.0361007
663.4285803 665.1453109 665.7444852 666.7303339 667.9917850
669.4237998 670.9124049 672.3398707 672.8439136 673.3653705
674.7812817 675.4602213 677.3296545 678.1046609 679.2394039
680.2417683 683.0516789 684.6080087 686.2468260 686.9968103
687.8644455 688.7386107 689.3511241 690.7563081 692.0363251
693.4801186 693.9373742 695.8269117 697.6070971 697.7364845
699.2046700 700.0543932 702.1205550 703.2132428 704.7958408
705.8717603 706.3606054 708.9038033 710.1098520 711.2535971
713.6415827 714.8000315 715.8577708 717.5399865 718.7388673
719.3621471 721.1294126 721.9270695 723.1687657 724.9250125
725.1173421 726.9619467 727.4674235 728.9742179 730.0968302
731.3121075 733.4545695 734.1412245 734.7320965 735.7273289
737.0445708 738.0890216 739.8999349 741.8388005 742.9030554
745.3545560 745.7055351 746.9820703 747.7106926 748.8102691
749.1291496 751.4321471 751.6359660 753.7707013 755.2921902
756.2157933 757.1100420 759.7291294 761.1587474 761.5216227
763.1816518 765.0520399 765.5890430 766.7500178 767.1911633
769.3168750 771.5462537 773.6361781 773.9352254 774.7976301
776.3172208 777.3388548 779.2995996 779.9234793 781.3191696
782.2356065 783.4294402 784.5601455 785.5528238 787.6353498
788.2450540 790.6854059 791.9565247 792.4311108 793.1863154
794.0711078 795.0501092 795.9895056 799.4124898 800.9779423
803.0089875 804.4274194 805.1516831 807.0846983 807.2325618
808.5903118 812.3289684 813.3179479 813.8143304 815.9498667
816.6915835 817.8337828 818.6860086 819.2916643 821.2432419
823.0265172 824.5474762 825.2470084 826.3436189 826.9759941
829.2000973 830.6144161 833.4420657 834.6895739 835.2085491
836.6758876 839.2674449 840.6877185 841.0406735 842.2305417
844.1255321 844.5296328 848.7175255 849.2034959 851.6148604
852.9519931 854.1074802 855.9666276 856.2659623 858.4804963
859.1210964 860.9952264 861.8942391 865.0710459 866.5825819
867.2165610 868.3565637 869.5552072 873.8485432 874.5878343
875.9740224 877.0846066 878.8157189 882.3508565 882.4249128
885.2498626 886.2385490 887.7720338 890.1227298 891.9298163
894.1732765 898.0076611 898.6448829 898.9171265 900.4564611
902.4534891 902.7690772 904.5587632 905.5684833 908.2845217
909.3304164 911.4960232 912.9728734 914.1832147 916.2471864
917.6871685 919.8440540 923.6018685 924.7398398 925.7236106
927.3096048 928.5665060 929.5882875 933.0271171 933.8680719
936.2707971 937.4506496 939.6592076 940.5050122 943.8501152
944.9210872 946.5618236 947.1065202 953.9978392 955.8687421
958.7263147 958.9854241 961.3767092 964.4400575 967.6850975
969.1628899 971.8760692 974.5849164 976.0493969 977.8390537
984.1959657 985.6904086 988.1179360 990.4442709 992.1709117
996.4544609 999.0055657 1001.9410804 1006.1598551 1007.2369330
1011.1778941 1011.8646121 1013.4381087 1016.4221390 1018.1271481
1021.7158893 1026.3425065 1029.2839999 1032.0205488 1033.1083902
1034.5322126 1037.1661403 1042.7218341 1044.3546294 1047.6089602
1048.0595321 1052.3796327 1055.5110494 1060.4449366 1062.1675755
1066.6602012 1072.5889444 1077.6922074 1095.5567283 1097.3813415
1108.9723332 1113.1213296 1123.8871052 1124.8096549 1129.9360356
1163.2015258 1212.1202871 1256.3413151 1266.9325751
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404140143224110834.eigenfacs
Openam> file on opening on unit 10:
2404140143224110834.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404140143224110834.atom
Openam> file on opening on unit 11:
2404140143224110834.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 = 205
First residue number = 88
Last residue number = 292
Number of atoms found = 213
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: 9.9296E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9570E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9622E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9915E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0004E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0015E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0027E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0034E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0039E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 2.9748E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 6.6227E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 7.5998E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 9.1261E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1335
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1503
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1777
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1907
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2092
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2374
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2706
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2954
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3140
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3400
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3826
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4133
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4657
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5247
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5542
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6048
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6335
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6915
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7899
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8716
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8864
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9259
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9479
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9882
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 1.010
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 1.109
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 1.140
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 1.260
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 1.291
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 1.346
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 1.405
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 1.453
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 1.555
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 1.574
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 1.659
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 1.737
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 1.806
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 1.832
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 1.921
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 2.018
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 2.086
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 2.107
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 2.187
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 2.206
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 2.326
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 2.403
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 2.414
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 2.517
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 2.561
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 2.762
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 2.767
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 2.816
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 2.856
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 2.950
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 3.053
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 3.076
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 3.132
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 3.197
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 3.228
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 3.370
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 3.446
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 3.531
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 3.610
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 3.718
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 3.769
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 3.917
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 3.998
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 4.122
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 4.201
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 4.308
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 4.370
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 4.449
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 4.511
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 4.620
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 4.697
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 4.749
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 4.847
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 4.868
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 5.009
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 5.153
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 5.185
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 5.341
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 5.428
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 5.540
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 5.652
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 5.698
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 5.721
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 5.893
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 5.940
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 6.046
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 6.113
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 6.243
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 6.260
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 639 coordinates in file.
Openam> file on opening on unit 12:
bfactors.pred
Bfactors> Best zero-eigenvalue found : 0.000000
Bfactors> 9 eigenvalues less than : 0.000000
Bfactors> Lowest non-zero eigenvalue : 0.029748
Bfactors> 97 eigenvectors will be considered.
Bfactors> Rotation-Tranlation modes are skipped.
Bfactors> Mass-weighted B-factors are computed.
(CHARMM units assumed for eigenvalues)
Bfactors> Correlation= 0.260 for 213 C-alpha atoms.
Bfactors> = 12.241 +/- 26.92
Bfactors> = 23.633 +/- 5.57
Bfactors> Shiftng-fct= 11.392
Bfactors> Scaling-fct= 0.207
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404140143224110834 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=-80
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=-60
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=-40
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=-20
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=0
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=20
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=40
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=60
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=80
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=100
2404140143224110834.eigenfacs
2404140143224110834.atom
making animated gifs
11 models are in 2404140143224110834.7.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 2404140143224110834.7.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 2404140143224110834.7.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 2404140143224110834 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=-80
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=-60
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=-40
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=-20
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=0
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=20
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=40
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=60
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=80
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=100
2404140143224110834.eigenfacs
2404140143224110834.atom
making animated gifs
11 models are in 2404140143224110834.8.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 2404140143224110834.8.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 2404140143224110834.8.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 2404140143224110834 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=-80
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=-60
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=-40
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=-20
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=0
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=20
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=40
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=60
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=80
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=100
2404140143224110834.eigenfacs
2404140143224110834.atom
making animated gifs
11 models are in 2404140143224110834.9.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 2404140143224110834.9.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 2404140143224110834.9.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 2404140143224110834 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=-80
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=-60
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=-40
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=-20
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=0
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=20
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=40
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=60
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=80
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=100
2404140143224110834.eigenfacs
2404140143224110834.atom
making animated gifs
11 models are in 2404140143224110834.10.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 2404140143224110834.10.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 2404140143224110834.10.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 2404140143224110834 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=-80
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=-60
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=-40
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=-20
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=0
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=20
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=40
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=60
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=80
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=100
2404140143224110834.eigenfacs
2404140143224110834.atom
making animated gifs
11 models are in 2404140143224110834.11.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 2404140143224110834.11.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 2404140143224110834.11.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 2404140143224110834 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=-80
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=-60
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=-40
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=-20
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=0
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=20
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=40
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=60
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=80
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=100
2404140143224110834.eigenfacs
2404140143224110834.atom
making animated gifs
11 models are in 2404140143224110834.12.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 2404140143224110834.12.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 2404140143224110834.12.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 2404140143224110834 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=-80
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=-60
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=-40
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=-20
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=0
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=20
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=40
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=60
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=80
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=100
2404140143224110834.eigenfacs
2404140143224110834.atom
making animated gifs
11 models are in 2404140143224110834.13.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 2404140143224110834.13.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 2404140143224110834.13.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 2404140143224110834 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=-80
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=-60
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=-40
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=-20
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=0
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=20
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=40
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=60
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=80
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=100
2404140143224110834.eigenfacs
2404140143224110834.atom
making animated gifs
11 models are in 2404140143224110834.14.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 2404140143224110834.14.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 2404140143224110834.14.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 2404140143224110834 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=-80
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=-60
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=-40
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=-20
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=0
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=20
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=40
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=60
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=80
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=100
2404140143224110834.eigenfacs
2404140143224110834.atom
making animated gifs
11 models are in 2404140143224110834.15.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 2404140143224110834.15.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 2404140143224110834.15.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 2404140143224110834 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=-80
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=-60
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=-40
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=-20
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=0
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=20
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=40
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=60
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=80
2404140143224110834.eigenfacs
2404140143224110834.atom
calculating perturbed structure for DQ=100
2404140143224110834.eigenfacs
2404140143224110834.atom
making animated gifs
11 models are in 2404140143224110834.16.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 2404140143224110834.16.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 2404140143224110834.16.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
2404140143224110834.10.pdb
2404140143224110834.11.pdb
2404140143224110834.12.pdb
2404140143224110834.13.pdb
2404140143224110834.14.pdb
2404140143224110834.15.pdb
2404140143224110834.16.pdb
2404140143224110834.7.pdb
2404140143224110834.8.pdb
2404140143224110834.9.pdb
STDERR:
real 0m3.732s
user 0m3.693s
sys 0m0.016s
../../bin/check_modes: error while loading shared libraries: libgfortran.so.3: cannot open shared object file: No such file or directory
mv: cannot stat 'Chkmod.res': No such file or directory
cat: 2404140143224110834.Chkmod.res: No such file or directory
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
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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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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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