*** ***
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 = 240415000348227985.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 240415000348227985.atom to be opened.
Openam> File opened: 240415000348227985.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 = 187
First residue number = 97
Last residue number = 1291
Number of atoms found = 188
Mean number per residue = 1.0
Pdbmat> Coordinate statistics:
= 168.041686 +/- 9.123508 From: 146.970000 To: 187.481000
= -28.304809 +/- 8.727715 From: -48.466000 To: -6.633000
= -263.503612 +/- 9.515549 From: -283.576000 To: -242.860000
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 5.9273 % Filled.
Pdbmat> 9444 non-zero elements.
Pdbmat> 924 atom-atom interactions.
Pdbmat> Number per atom= 9.83 +/- 3.28
Maximum number = 17
Minimum number = 3
Pdbmat> Matrix trace = 18480.0
Pdbmat> Larger element = 70.5168
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 188 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) = 564
Diagstd> Number of non-zero elements 9444
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 18480.0000006
%Diagstd-Wn: Nb on non-zero elements there: 564
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 564 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 18480.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0016699 0.0593122 0.0766417 0.0784032
0.0830127 0.1157792 0.1313314 0.1572646 0.2018074
0.2127534 0.2561009 0.2952964 0.3348527 0.3530543
0.4021728 0.4314256 0.4476618 0.5161027 0.5318431
0.5681877 0.6239533 0.6317824 0.6946622 0.7275694
0.7813523 0.8450753 0.9250245 0.9540622 0.9691811
1.0304361 1.0382626 1.1299406 1.2137012 1.2662708
1.3574559 1.4886270 1.5062435 1.5533402 1.6170124
1.7319274 1.7429093 1.7962227 1.8845854 1.9361860
1.9582192 2.0967077 2.1407128 2.2320717 2.2884521
2.2997953 2.3760661 2.5122648 2.5620630 2.6521408
2.7928502 2.8949938 2.9158048 2.9680170 3.0092217
3.1641084 3.1866043 3.2837719 3.4565633 3.5041493
3.5268157 3.6875007 3.7992731 3.8779514 3.9109903
3.9969832 4.0845921 4.2071234 4.2681341 4.3340509
4.4606686 4.4969726 4.6226624 4.6988290 4.8675410
4.9494882 4.9726295 5.1379149 5.2784190 5.3915675
5.4646500 5.5253025 5.5625670 5.6011200 5.7717519
5.8367532 5.9700990 6.0530845 6.1162075 6.2748920
6.3872714 6.5263487 6.6114077 6.6206850 6.7472324
6.8100645 6.8571437 6.9187324 7.0642357 7.2726747
7.3610037 7.4854257 7.5221974 7.7082849 7.7397375
7.9759345 8.1191364 8.1465959 8.2351444 8.4345523
8.4756325 8.6519824 8.7291406 8.7688305 8.8460455
9.0152781 9.0589753 9.1138889 9.2424406 9.3627441
9.5791939 9.6609689 9.8431739 9.8689334 10.0395557
10.1421308 10.1711605 10.3401683 10.4585104 10.6503651
10.7856894 10.9088418 11.0269072 11.1384824 11.3763036
11.3952204 11.4640290 11.6928438 11.8168068 11.8853478
12.0102399 12.0841273 12.3132449 12.3737361 12.5019179
12.6289638 12.7981074 12.8631559 12.9772730 13.1094771
13.1346445 13.2412116 13.3102083 13.4481598 13.4729629
13.6512382 13.7120505 13.8470281 14.0912261 14.2185459
14.3371158 14.5136179 14.5583655 14.7133348 14.7724753
14.8517704 15.0092743 15.1532880 15.2368855 15.3965823
15.4837121 15.5599023 15.6848486 15.7499762 15.9897123
16.0819847 16.1525430 16.2331457 16.3781805 16.5960645
16.6375972 16.7063915 16.9176557 17.1347114 17.1479980
17.2750265 17.4164341 17.5094680 17.5159136 17.8473641
18.0231885 18.1410978 18.2401491 18.4221235 18.7858481
18.8404191 18.9648357 18.9977873 19.0690986 19.2181692
19.2979570 19.4922996 19.5799868 19.6508761 19.7650005
19.7880663 19.9430145 20.1649983 20.2274181 20.3377238
20.4700437 20.6035014 20.8021875 20.8687168 20.9058982
21.0336733 21.1277313 21.3092256 21.5104156 21.7251231
21.8464079 21.9790032 22.1335829 22.2469309 22.2884358
22.3930826 22.4307078 22.4535802 22.5726522 22.6164340
22.8149725 22.8787954 22.9893118 23.1582267 23.3726196
23.5259459 23.7988582 23.9278645 23.9429274 23.9911450
24.0727570 24.1327208 24.2131680 24.2806215 24.3694977
24.4852543 24.5402889 24.6287169 24.6548459 24.7967862
24.8318925 24.9713701 25.1209355 25.1588387 25.2244353
25.3060421 25.5233255 25.7252263 25.7404531 25.8553528
25.9459238 25.9530134 26.0103486 26.1916669 26.3412998
26.4474844 26.7901408 26.8935806 26.9431624 27.0686901
27.1665228 27.2409532 27.4587537 27.5707038 27.6141136
27.7180123 27.8361465 27.8641086 28.0914784 28.1551788
28.3314151 28.3991851 28.4532372 28.5587831 28.7752688
29.1206203 29.1615378 29.2430950 29.3303222 29.5259348
29.6522491 29.8201300 30.0528349 30.2272422 30.2701646
30.4558231 30.6257600 30.7187249 30.9012518 31.0558395
31.2792900 31.3635052 31.5444004 31.6479366 31.7306789
31.8889866 32.2196288 32.3723332 32.3932824 32.5143847
32.6568678 32.7035401 33.0521348 33.2142101 33.2310247
33.3056482 33.5526421 33.7309789 33.8237212 33.9447328
34.0520381 34.2026562 34.2467725 34.5050372 34.5602910
34.7750913 35.0278756 35.0980859 35.3171467 35.4621787
35.5400431 35.7989698 35.9593919 35.9897038 36.3132385
36.4119878 36.6578216 36.8118822 37.0455596 37.1981645
37.4727458 37.6878261 37.6955418 37.8553070 37.9447821
37.9838241 38.1558827 38.2070482 38.6333255 38.8417716
39.1407432 39.1804130 39.3051479 39.5279712 39.6128574
39.7505161 39.8724424 40.0157947 40.1400125 40.3757185
40.5695033 40.7127624 40.8909280 41.2799533 41.3359202
41.4948565 41.8260962 41.9023589 42.1591572 42.2967472
42.4787541 42.5501402 42.8593317 43.1420855 43.4582317
43.5418519 43.8347967 44.0152339 44.3224411 44.3876063
44.5732258 44.7389797 44.8123110 44.9234067 45.0908879
45.4579139 45.6356981 45.9471174 46.1230567 46.4468674
46.4944550 46.5612626 46.7488070 47.0186263 47.2361381
47.3994549 47.6290627 47.8405490 47.9255927 48.0297762
48.1784191 48.4233578 48.4705700 48.5939410 48.7335531
48.9714467 49.2269043 49.4310638 49.5192116 49.7408233
49.7806447 49.9939036 50.5407288 50.6534660 50.7020583
50.9763948 51.1046642 51.4120173 51.4822722 51.6632176
51.7835123 51.9941532 52.0397439 52.2913433 52.4424696
52.7469517 52.8752836 52.9533202 53.4551226 53.6466042
53.7313151 53.8589738 54.1585106 54.3088709 54.5742033
54.9638124 55.0011525 55.0474719 55.3577844 55.4944024
55.6685400 55.8411354 56.0181755 56.1544931 56.7113879
56.8248817 56.9769756 57.5178666 57.6699714 57.8160121
58.0078322 58.0648579 58.3252463 58.5781031 58.6992011
58.9753611 59.0785267 59.3268669 59.8368070 59.9871847
60.3692996 60.5031316 60.7999922 60.9338452 61.2922325
61.4209204 61.5192766 61.9901547 62.2711651 62.5256766
62.9376390 63.2884203 63.4882832 63.5440425 63.8428624
64.0660944 64.4498524 64.5879170 64.7206591 64.9596756
65.4667200 65.6304179 65.7920574 65.9420112 66.4335986
66.6201125 67.1408711 67.4106486 67.8914110 68.1904654
68.7372980 68.8569373 69.3463282 69.6901348 69.8429574
70.0558774 70.6576132 70.8901100 71.5661628 71.8344033
72.2472001 72.5793936 72.8945373 73.3129914 73.8159038
74.0912531 74.4803377 74.9218517 75.1931490 75.5377734
76.0778803 76.5735303 76.7357412 77.8197721 78.3272639
78.6472509 78.8712932 79.6680476 79.9330696 80.4299838
80.7074181 81.4336015 82.1691244 82.5049770 82.5785163
83.1197214 83.3544784 83.6460501 84.5256672 85.0764458
85.6120220 86.4003779 86.9879125 87.2165455 87.6385629
88.2117540 89.7246229 90.2779097 91.1381269 91.3865461
91.7110237 92.4905740 93.0857388 93.2936714 94.3014520
94.7666760 95.4937664 96.7598950 97.3045703 97.8197018
101.7771007 102.8991455 104.2773976 111.5797190
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034211 0.0034304 0.0034332 0.0034348 0.0034372
0.0034454 4.4374914 26.4464485 30.0626933 30.4062092
31.2872705 36.9496741 39.3531492 43.0636422 48.7824745
50.0879842 54.9541911 59.0098277 62.8379729 64.5232204
68.8654892 71.3260600 72.6558054 78.0123469 79.1930463
81.8542405 85.7770898 86.3135600 90.5069882 92.6259120
95.9883946 99.8258444 104.4412105 106.0678133 106.9049361
110.2315248 110.6493524 115.4311686 119.6330479 122.1964455
126.5196980 132.4915652 133.2732129 135.3407465 138.0867337
142.9091762 143.3615456 145.5376525 149.0744428 151.1015150
151.9588268 157.2404325 158.8819204 162.2367938 164.2730031
164.6796267 167.3880861 172.1186718 173.8161726 176.8453194
181.4759603 184.7647411 185.4276535 187.0804780 188.3746135
193.1616716 193.8471188 196.7803696 201.8912683 203.2762219
203.9326038 208.5265385 211.6632882 213.8437017 214.7527076
217.1008081 219.4672008 222.7347115 224.3439218 226.0696603
229.3481609 230.2795643 233.4755303 235.3911327 239.5797396
241.5880374 242.1521505 246.1437047 249.4865927 252.1464189
253.8495838 255.2544432 256.1137578 256.9997611 260.8849996
262.3499258 265.3298101 267.1675139 268.5569442 272.0184786
274.4435112 277.4153059 279.2172538 279.4130858 282.0707908
283.3811064 284.3589524 285.6331088 288.6209627 292.8480672
294.6210667 297.1006019 297.8294528 301.4908653 302.1053361
306.6804346 309.4212945 309.9440951 311.6239944 315.3742996
316.1413759 319.4133728 320.8344715 321.5630344 322.9757120
326.0504803 326.8397103 327.8288310 330.1327531 332.2743798
336.0932278 337.5247487 340.6927245 341.1382281 344.0745320
345.8277861 346.3223617 349.1878174 351.1803409 354.3867930
356.6311183 358.6613696 360.5970249 362.4167747 366.2653764
366.5697684 367.6748448 371.3259952 373.2891329 374.3701623
376.3319770 377.4878054 381.0496247 381.9844685 383.9578943
385.9038755 388.4795448 389.4655482 391.1893307 393.1768736
393.5541006 395.1474130 396.1755829 398.2233405 398.5904025
401.2188264 402.1114900 404.0857799 407.6333155 409.4707397
411.1745038 413.6977164 414.3349703 416.5343664 417.3706611
418.4893344 420.7025337 422.7160316 423.8804450 426.0959876
427.2999322 428.3499428 430.0663325 430.9582820 434.2257807
435.4768797 436.4311429 437.5187034 439.4688598 442.3823970
442.9355964 443.8503923 446.6479770 449.5041210 449.6783635
451.3408493 453.1843468 454.3931294 454.4767574 458.7565968
461.0107933 462.5163214 463.7772836 466.0849983 470.6636772
471.3467964 472.9005533 473.3112098 474.1987039 476.0485938
477.0357721 479.4317810 480.5089459 481.3780008 482.7738023
483.0554186 484.9429863 487.6344445 488.3885868 489.7184343
491.3089379 492.9079201 495.2788506 496.0702158 496.5119396
498.0269479 499.1392394 501.2785410 503.6393803 506.1466920
507.5575580 509.0955212 510.8826351 512.1891018 512.6666606
513.8687662 514.3002902 514.5624373 515.9250031 516.4251029
518.6868708 519.4118548 520.6648573 522.5741594 524.9875151
526.7066809 529.7528982 531.1867712 531.3539392 531.8887046
532.7926142 533.4557788 534.3441857 535.0879611 536.0663775
537.3380435 537.9415824 538.9099151 539.1957079 540.7455809
541.1282288 542.6458246 544.2684802 544.6789298 545.3885379
546.2700535 548.6102408 550.7758406 550.9388198 552.1670849
553.1333569 553.2089220 553.8196573 555.7466447 557.3318736
558.4540760 562.0601284 563.1441724 563.6630477 564.9745700
565.9946260 566.7694464 569.0306916 570.1894885 570.6381900
571.7107018 572.9277228 573.2154097 575.5493641 576.2015539
578.0020967 578.6929872 579.2434382 580.3167809 582.5121320
585.9972679 586.4088171 587.2282608 588.1034097 590.0612681
591.3220859 592.9936549 595.3029068 597.0277850 597.4515220
599.2809203 600.9505236 601.8619291 603.6473751 605.1554057
607.3285863 608.1456112 609.8968900 610.8969825 611.6950453
613.2190517 616.3899468 617.8489046 618.0487872 619.2029975
620.5582364 621.0015203 624.3024476 625.8312487 625.9896419
626.6921076 629.0115827 630.6810075 631.5474318 632.6761707
633.6753829 635.0752641 635.4847089 637.8763936 638.3869138
640.3677020 642.6909426 643.3347291 645.3392573 646.6629620
647.3725126 649.7264462 651.1805945 651.4549920 654.3766159
655.2657591 657.4740359 658.8541596 660.9420150 662.3019525
664.7418762 666.6468383 666.7150749 668.1264519 668.9155808
669.2596209 670.7737101 671.2232996 674.9573436 676.7757600
679.3753954 679.7195870 680.8007060 682.7277293 683.4604144
684.6469319 685.6961328 686.9276590 687.9930198 690.0100436
691.6639259 692.8840528 694.3984837 697.6938242 698.1666274
699.5075622 702.2939811 702.9339455 705.0846183 706.2342325
707.7520983 708.3465419 710.9154906 713.2566802 715.8652904
716.5536759 718.9600827 720.4382913 722.9480920 723.4793555
724.9904954 726.3372512 726.9322739 727.8327976 729.1882699
732.1499402 733.5802484 736.0789794 737.4869181 740.0711839
740.4502106 740.9819940 742.4727968 744.6123729 746.3327030
747.6217958 749.4303859 751.0923830 751.7596758 752.5763424
753.7399817 755.6535565 756.0218436 756.9833749 758.0700145
759.9180277 761.8974900 763.4757698 764.1561999 765.8641924
766.1706986 767.8100713 771.9977424 772.8582802 773.2288958
775.3179504 776.2927851 778.6236711 779.1554872 780.5235401
781.4317128 783.0194229 783.3626405 785.2540399 786.3879460
788.6675344 789.6263553 790.2088301 793.9441358 795.3648583
795.9925725 796.9375996 799.1506118 800.2591843 802.2116826
805.0701134 805.3435324 805.6825720 807.9502699 808.9466295
810.2148443 811.4698726 812.7552060 813.7435061 817.7685759
818.5864477 819.6812040 823.5626924 824.6509208 825.6944141
827.0630113 827.4694413 829.3227341 831.1184673 831.9771056
833.9318955 834.6609749 836.4134101 840.0003862 841.0552392
843.7297232 844.6644329 846.7340840 847.6656266 850.1547791
851.0467948 851.7279327 854.9813479 856.9170341 858.6664219
861.4905218 863.8879341 865.2509248 865.6307991 867.6637542
869.1793604 871.7786798 872.7119436 873.6082888 875.2199407
878.6290772 879.7268860 880.8095489 881.8127516 885.0935363
886.3351264 889.7925518 891.5783894 894.7520412 896.7205193
900.3088275 901.0919944 904.2885160 906.5273940 907.5208059
908.9030663 912.7981724 914.2987063 918.6480262 920.3680301
923.0086921 925.1282608 927.1345640 929.7918831 932.9755253
934.7140060 937.1650821 939.9387008 941.6389551 943.7943430
947.1624714 950.2428606 951.2488101 957.9443000 961.0627806
963.0238735 964.3945807 969.2534766 970.8642866 973.8773625
975.5555572 979.9346210 984.3501455 986.3597775 986.7992666
990.0276405 991.4247336 993.1572088 998.3655440 1001.6129925
1004.7607409 1009.3762953 1012.8024300 1014.1325464 1016.5831432
1019.9021541 1028.6108501 1031.7774400 1036.6814548 1038.0933575
1039.9346547 1044.3450621 1047.6997861 1048.8692960 1054.5191484
1057.1171149 1061.1646926 1068.1763901 1071.1786301 1074.0103030
1095.5200184 1101.5422632 1108.8948648 1147.0646920
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 240415000348227985.eigenfacs
Openam> file on opening on unit 10:
240415000348227985.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 240415000348227985.atom
Openam> file on opening on unit 11:
240415000348227985.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 = 187
First residue number = 97
Last residue number = 1291
Number of atoms found = 188
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: 9.9255E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9793E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9958E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0005E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0019E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0067E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 1.6699E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 5.9312E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 7.6642E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 7.8403E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 8.3013E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1158
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1313
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1573
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2018
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2128
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2561
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2953
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3349
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3531
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4022
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4314
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4477
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5161
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5318
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5682
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6240
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6318
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6947
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7276
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7814
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8451
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9250
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9541
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9692
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 1.030
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 1.038
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 1.130
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 1.214
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 1.266
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 1.357
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 1.489
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 1.506
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 1.553
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 1.617
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 1.732
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 1.743
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 1.796
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 1.885
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 1.936
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 1.958
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 2.097
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 2.141
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 2.232
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 2.288
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 2.300
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 2.376
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 2.512
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 2.562
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 2.652
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 2.793
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 2.895
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 2.916
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 2.968
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 3.009
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 3.164
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 3.187
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 3.284
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 3.457
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 3.504
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 3.527
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 3.688
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 3.799
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 3.878
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 3.911
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 3.997
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 4.085
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 4.207
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 4.268
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 4.334
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 4.461
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 4.497
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 4.623
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 4.699
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 4.868
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 4.949
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 4.973
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 5.138
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 5.278
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 5.392
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 5.465
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 5.525
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 5.563
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 5.601
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 5.772
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 5.837
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 5.970
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 6.053
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 6.116
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 6.275
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 6.387
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 6.526
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 6.611
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 6.621
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 6.747
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 6.810
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 564 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 : 0.001670
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= 0.244 for 187 C-alpha atoms.
Bfactors> = 62.140 +/- 439.30
Bfactors> = 29.908 +/- 13.17
Bfactors> Shiftng-fct= -32.232
Bfactors> Scaling-fct= 0.030
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 240415000348227985 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=-80
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=-60
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=-40
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=-20
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=0
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=20
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=40
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=60
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=80
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=100
240415000348227985.eigenfacs
240415000348227985.atom
making animated gifs
11 models are in 240415000348227985.7.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 240415000348227985.7.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 240415000348227985.7.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 240415000348227985 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=-80
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=-60
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=-40
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=-20
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=0
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=20
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=40
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=60
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=80
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=100
240415000348227985.eigenfacs
240415000348227985.atom
making animated gifs
11 models are in 240415000348227985.8.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 240415000348227985.8.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 240415000348227985.8.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 240415000348227985 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=-80
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=-60
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=-40
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=-20
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=0
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=20
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=40
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=60
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=80
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=100
240415000348227985.eigenfacs
240415000348227985.atom
making animated gifs
11 models are in 240415000348227985.9.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 240415000348227985.9.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 240415000348227985.9.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 240415000348227985 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=-80
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=-60
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=-40
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=-20
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=0
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=20
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=40
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=60
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=80
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=100
240415000348227985.eigenfacs
240415000348227985.atom
making animated gifs
11 models are in 240415000348227985.10.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 240415000348227985.10.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 240415000348227985.10.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 240415000348227985 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=-80
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=-60
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=-40
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=-20
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=0
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=20
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=40
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=60
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=80
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=100
240415000348227985.eigenfacs
240415000348227985.atom
making animated gifs
11 models are in 240415000348227985.11.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 240415000348227985.11.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 240415000348227985.11.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 240415000348227985 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=-80
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=-60
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=-40
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=-20
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=0
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=20
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=40
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=60
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=80
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=100
240415000348227985.eigenfacs
240415000348227985.atom
making animated gifs
11 models are in 240415000348227985.12.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 240415000348227985.12.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 240415000348227985.12.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 240415000348227985 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=-80
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=-60
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=-40
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=-20
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=0
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=20
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=40
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=60
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=80
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=100
240415000348227985.eigenfacs
240415000348227985.atom
making animated gifs
11 models are in 240415000348227985.13.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 240415000348227985.13.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 240415000348227985.13.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 240415000348227985 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=-80
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=-60
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=-40
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=-20
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=0
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=20
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=40
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=60
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=80
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=100
240415000348227985.eigenfacs
240415000348227985.atom
making animated gifs
11 models are in 240415000348227985.14.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 240415000348227985.14.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 240415000348227985.14.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 240415000348227985 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=-80
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=-60
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=-40
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=-20
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=0
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=20
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=40
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=60
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=80
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=100
240415000348227985.eigenfacs
240415000348227985.atom
making animated gifs
11 models are in 240415000348227985.15.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 240415000348227985.15.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 240415000348227985.15.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 240415000348227985 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=-80
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=-60
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=-40
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=-20
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=0
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=20
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=40
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=60
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=80
240415000348227985.eigenfacs
240415000348227985.atom
calculating perturbed structure for DQ=100
240415000348227985.eigenfacs
240415000348227985.atom
making animated gifs
11 models are in 240415000348227985.16.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 240415000348227985.16.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 240415000348227985.16.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
240415000348227985.10.pdb
240415000348227985.11.pdb
240415000348227985.12.pdb
240415000348227985.13.pdb
240415000348227985.14.pdb
240415000348227985.15.pdb
240415000348227985.16.pdb
240415000348227985.7.pdb
240415000348227985.8.pdb
240415000348227985.9.pdb
STDERR:
real 0m2.634s
user 0m2.626s
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: 240415000348227985.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
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
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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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
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
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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
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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
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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