*** ***
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 = 240415022434281025.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 240415022434281025.atom to be opened.
Openam> File opened: 240415022434281025.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 = 186
First residue number = 96
Last residue number = 1291
Number of atoms found = 186
Mean number per residue = 1.0
Pdbmat> Coordinate statistics:
= 103.488613 +/- 9.503577 From: 82.027000 To: 123.532000
= -69.320785 +/- 8.248666 From: -89.237000 To: -50.120000
= -263.711215 +/- 9.480888 From: -283.712000 To: -242.915000
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 5.8919 % Filled.
Pdbmat> 9189 non-zero elements.
Pdbmat> 897 atom-atom interactions.
Pdbmat> Number per atom= 9.65 +/- 3.14
Maximum number = 18
Minimum number = 3
Pdbmat> Matrix trace = 17940.0
Pdbmat> Larger element = 67.1586
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 186 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) = 558
Diagstd> Number of non-zero elements 9189
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 17940.0000006
%Diagstd-Wn: Nb on non-zero elements there: 558
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 558 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 17940.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0009381 0.0569456 0.0700843 0.1036356
0.1132356 0.1305762 0.1519494 0.1663711 0.1840577
0.2351762 0.2393851 0.2669985 0.2978854 0.3708653
0.4009711 0.4521782 0.4967875 0.5446765 0.5784132
0.5967759 0.6557735 0.7426327 0.7949646 0.8876679
0.9060631 0.9425624 0.9613649 0.9964900 1.0444556
1.1115619 1.1674762 1.2144020 1.3196866 1.3860405
1.4349292 1.4981504 1.5758538 1.6904606 1.7830559
1.8522475 1.8750665 1.9114600 1.9974567 2.0907315
2.1411362 2.2652138 2.3023092 2.3726617 2.4684556
2.5298956 2.6107324 2.6394132 2.7200834 2.8376547
2.8813446 3.0073979 3.1465637 3.2410612 3.2752262
3.5199938 3.5673301 3.6376186 3.7364019 3.8261560
3.9304638 3.9685516 4.0262304 4.1516737 4.1920636
4.2540056 4.3980636 4.4402452 4.4931033 4.6473761
4.7022631 4.8301113 4.9221645 4.9994992 5.0370197
5.0891314 5.2274878 5.3470055 5.3670930 5.4647132
5.5548979 5.6000067 5.6483061 5.7436791 5.9080052
6.0475192 6.1138434 6.2074602 6.3731686 6.4004579
6.5586594 6.6586394 6.7082790 6.7822658 6.8194752
6.8297937 6.9332881 7.1104757 7.2299138 7.3295260
7.4812482 7.5681057 7.6871776 7.7740628 7.9129058
8.1419949 8.2368990 8.2722220 8.3147902 8.4619244
8.5367197 8.6551155 8.6750079 8.8678016 8.9366163
9.1307738 9.2017318 9.2704470 9.4758298 9.5077084
9.6738409 9.7654677 9.8769305 9.9881074 10.2326822
10.2906018 10.3271373 10.5510368 10.6831235 10.7679299
10.8136157 10.9532542 11.0391985 11.0745726 11.1345327
11.2107626 11.3422194 11.3940717 11.6861851 11.7256321
11.8942074 12.0420603 12.1473672 12.2513286 12.4145807
12.6861081 12.8282570 12.8854738 12.9917745 13.0756395
13.1357915 13.2618690 13.3256197 13.4997752 13.5207140
13.6471345 13.7891766 13.9084618 14.0604552 14.1415324
14.2650270 14.3302576 14.3923320 14.6127823 14.6710874
14.7953668 14.9693730 15.0787244 15.1666774 15.2027335
15.3174188 15.4239654 15.5603184 15.7053626 15.8244151
15.9898126 16.0763351 16.2227174 16.3320233 16.4348609
16.6162810 16.7298288 16.8039196 16.9979481 17.1274351
17.1906689 17.2759277 17.3604587 17.4557255 17.5185914
17.5977011 17.7247771 17.8471511 18.0545596 18.1974273
18.2870305 18.4854203 18.5741103 18.6850131 18.7201529
18.9271240 18.9982233 19.0615817 19.1257699 19.5435131
19.7165072 19.7709188 19.8278168 19.9184890 20.1093693
20.1771097 20.4144096 20.5086489 20.7071950 20.7329853
20.7619834 20.9673864 21.1030615 21.1940662 21.3342599
21.4857381 21.5844003 21.6836886 21.7279472 21.9118411
22.1502831 22.2128998 22.2748592 22.3393969 22.6474065
22.7356221 22.8010325 22.8343753 22.9889585 23.2079977
23.3394714 23.5490668 23.6435696 23.6840556 23.7953288
23.8441833 23.9085005 24.0884587 24.1160253 24.2417217
24.2779993 24.3759793 24.4275185 24.6557202 24.7426776
24.8298664 24.9557209 25.0043477 25.1937066 25.2753668
25.3277858 25.3575589 25.4862032 25.6062767 25.7752459
25.8868385 25.9178212 26.1163246 26.1703808 26.3063137
26.3718267 26.5256952 26.6409641 26.6959261 26.7945506
26.9900493 26.9937168 27.0650402 27.3058748 27.4360537
27.6431108 27.7479934 27.8680055 28.0790970 28.1166277
28.4002946 28.5726066 28.6503472 28.7507791 28.8406774
28.9409000 29.0488961 29.1262478 29.3034694 29.4623262
29.5458559 29.6685865 29.7294257 29.9075038 30.1177993
30.2299997 30.2714671 30.4859069 30.6185168 30.8195828
31.0583447 31.1165819 31.3205496 31.5316631 31.6877403
31.9463121 32.1047348 32.1311744 32.3455069 32.6407825
32.7074622 32.8936064 33.0722681 33.3849751 33.6818771
33.7548588 33.8591133 33.9718685 34.2669881 34.3549419
34.6220179 34.7928967 34.8189730 35.1115965 35.1626600
35.2314626 35.3379300 35.5120732 35.6321452 35.8204020
35.9590978 36.0979747 36.1095415 36.3369685 36.4197154
36.6155481 36.7147447 36.8840432 37.0047840 37.1987089
37.2343980 37.4386851 37.5912121 37.7770874 37.9419638
38.0780066 38.4557956 38.4857366 38.7826962 38.9279698
39.0151936 39.2414421 39.3784922 39.5894356 39.7096722
39.7607527 39.9416480 40.1025406 40.2288631 40.3407797
40.6416644 40.8131529 40.8808998 41.0871463 41.2776981
41.4313967 41.5282890 41.6933632 41.9320548 42.1300565
42.2512997 42.4771084 42.5886594 42.9118208 43.0561398
43.1245772 43.2819608 43.4437481 43.8101132 44.2349295
44.4525744 44.5285527 44.8702507 44.9129957 45.0902472
45.2171777 45.6413033 45.6822541 45.7584319 45.9371874
46.1717124 46.2889016 46.4682439 46.5592692 46.6746827
46.7102875 47.0415407 47.2492684 47.4683218 47.8082981
47.9417967 48.0300952 48.1733907 48.3997331 48.5540822
48.8203786 48.9610098 49.1633647 49.2635670 49.4250587
49.5871040 49.8470413 49.8580770 49.9731318 50.3737173
50.5281886 50.7492425 50.8961793 51.1728562 51.1862467
51.5289684 51.7059406 51.7553327 51.9320141 52.0562204
52.1814584 52.3864747 52.5669268 52.8417949 53.1273302
53.2454183 53.6977354 53.9519404 54.1482410 54.3036885
54.4453399 54.5105900 54.7491710 55.0206321 55.3230760
55.4805446 55.6659936 55.8741829 56.0976601 56.2725704
56.4239749 56.6970575 56.9078125 57.3865341 57.5754286
57.8891401 58.1737360 58.2936363 58.5985666 58.7303540
59.0512026 59.7035611 59.9204503 60.0080393 60.4384671
60.5964160 61.0483853 61.2469670 61.4636654 61.8339512
62.0470330 62.1509882 62.4723396 62.8067900 63.1149309
63.2666878 63.5764631 63.8262587 63.9445137 64.1490561
64.5315466 64.7509244 65.0090429 65.2646485 65.4445547
65.5902761 65.9662867 66.3302650 66.3773449 66.6310905
67.3567358 67.5758782 67.8346216 68.0331744 68.5048522
68.5578377 68.7353398 69.3170222 69.8047090 69.9909660
70.4720983 70.8216496 71.1327636 71.7411457 71.9047516
72.1934311 72.8471062 73.1474496 73.8167843 74.0666636
74.5940690 74.7588395 74.7929849 75.6949621 76.3651428
76.9629511 77.9469087 78.2521246 78.5487406 78.8413660
79.3555314 79.5177405 80.4149007 80.5806847 80.9813288
81.6031804 82.1845955 82.6016774 83.4236489 83.9121641
84.8113839 85.3009781 85.9375898 86.7006221 87.1201804
87.9288821 88.5751943 89.0260018 89.7297574 90.5678664
91.0459831 91.7953037 92.5315086 93.2438923 93.9662861
94.7427353 95.9235429 96.6685643 97.3473939 98.5941927
100.1160297 102.1589134 103.6095091
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034230 0.0034310 0.0034324 0.0034385 0.0034397
0.0034436 3.3260422 25.9134522 28.7478768 34.9582485
36.5415259 39.2398409 42.3296560 44.2929150 46.5878090
52.6613453 53.1304892 56.1112212 59.2679437 66.1307386
68.7625230 73.0213931 76.5386155 80.1428177 82.5875098
83.8882103 87.9371167 93.5798431 96.8209108 102.3105794
103.3652354 105.4266316 106.4729794 108.4006148 110.9788650
114.4885626 117.3327611 119.6675848 124.7471645 127.8448485
130.0799977 132.9146899 136.3180102 141.1880080 145.0032558
147.7899129 148.6974816 150.1335951 153.4737025 157.0161801
158.8976319 163.4368096 164.7696061 167.2681250 170.6113566
172.7215704 175.4593285 176.4204703 179.0962089 182.9258397
184.3286669 188.3175204 192.6253948 195.4964607 196.5241523
203.7352739 205.1006001 207.1113307 209.9046570 212.4108122
215.2866905 216.3272822 217.8936602 221.2620274 222.3357045
223.9722985 227.7330332 228.8225152 230.1804748 234.0988021
235.4771351 238.6568193 240.9202717 242.8055069 243.7149126
244.9723754 248.2800322 251.1022448 251.5734701 253.8510529
255.9371457 256.9742177 258.0800252 260.2497751 263.9463820
267.0446662 268.5050352 270.5529367 274.1403626 274.7266580
278.1011729 280.2128385 281.2553810 282.8021354 283.5768393
283.7912969 285.9334099 289.5640281 291.9858726 293.9904516
297.0176874 298.7369030 301.0778035 302.7745054 305.4662822
309.8565587 311.6571909 312.3247287 313.1272965 315.8856162
317.2786081 319.4712010 319.8381177 323.3726338 324.6249058
328.1323673 329.4049083 330.6325589 334.2750072 334.8368181
337.7495279 339.3452728 341.2764174 343.1917834 347.3681725
348.3498818 348.9677203 352.7303663 354.9313853 356.3373854
357.0925133 359.3907241 360.7979423 361.3755523 362.3525134
363.5907771 365.7162880 366.5512915 371.2202522 371.8462557
374.5096675 376.8301805 378.4742701 380.0903775 382.6143975
386.7759694 388.9368620 389.8032683 391.4078378 392.6691199
393.5712840 395.4555243 396.4048754 398.9868191 399.2961238
401.1585166 403.2407815 404.9811707 407.1880003 408.3603017
410.1394826 411.0761485 411.9655165 415.1086056 415.9359243
417.6939151 420.1429546 421.6747368 422.9027462 423.4051357
424.9991617 426.4747291 428.3556702 430.3474792 431.9754982
434.2271424 435.4003810 437.3781481 438.8491641 440.2286437
442.6517590 444.1616202 445.1440551 447.7066338 449.4086688
450.2375037 451.3526220 452.4555062 453.6952496 454.5114955
455.5365716 457.1783660 458.7538591 461.4118346 463.2338393
464.3729078 466.8850250 468.0037044 469.3988088 469.8399871
472.4301366 473.3166418 474.1052313 474.9028147 480.0611902
482.1811971 482.8460765 483.5403593 484.6447087 486.9613645
487.7808632 490.6408371 491.7720088 494.1467205 494.4543477
494.8000102 497.2415709 498.8477440 499.9222003 501.5729089
503.3504011 504.5047664 505.6637963 506.1795896 508.3170944
511.0753337 511.7972038 512.5104959 513.2524157 516.7785964
517.7840897 518.5283873 518.9073800 520.6608562 523.1354093
524.6151014 526.9654366 528.0217385 528.4736238 529.7136151
530.2571170 530.9717915 532.9663462 533.2712202 534.6591591
535.0590662 536.1376628 536.7041530 539.2052678 540.1552835
541.1061523 542.4757640 543.0040200 545.0562374 545.9388665
546.5046894 546.8258062 548.2111335 549.5010132 551.3110390
552.5031864 552.8337198 554.9467463 555.5207704 556.9616310
557.6547253 559.2791997 560.4930718 561.0709403 562.1063858
564.1532818 564.1916106 564.9364786 567.4444173 568.7954354
570.9377218 572.0198130 573.2554920 575.4225128 575.8069409
578.7042914 580.4572110 581.2463311 582.2642010 583.1738057
584.1862039 585.2751661 586.0538864 587.8341346 589.4253325
590.2602914 591.4849625 592.0911101 593.8617639 595.9459845
597.0550170 597.4643751 599.5768273 600.8794551 602.8491567
605.1798135 605.7469307 607.7290096 609.7737421 611.2810253
613.7699831 615.2899528 615.5432598 617.5928525 620.4053886
621.0387573 622.8034730 624.4925619 627.4379865 630.2218028
630.9042137 631.8777607 632.9290037 635.6722412 636.4875157
638.9567588 640.5316206 640.7716060 643.4585391 643.9262665
644.5559424 645.5291128 647.1177224 648.2108037 649.9209070
651.1779317 652.4341699 652.5386906 654.5903919 655.3352879
657.0948298 657.9843080 659.4996071 660.5781690 662.3067996
662.6244379 664.4397005 665.7918048 667.4358281 668.8907387
670.0888364 673.4047580 673.6668577 676.2609023 677.5262992
678.2849227 680.2487620 681.4356049 683.2583302 684.2951016
684.7350818 686.2909469 687.6718135 688.7540412 689.7114318
692.2787855 693.7377913 694.3133305 696.0625521 697.6747658
698.9724647 699.7893027 701.1787484 703.1829834 704.8412309
705.8547093 707.7383879 708.6670902 711.3506808 712.5458675
713.1119353 714.4120051 715.7459901 718.7576299 722.2340344
724.0086232 724.6270971 727.4020629 727.7484545 729.1830897
730.2087050 733.6252978 733.9543402 734.5660410 735.9994351
737.8758072 738.8116214 740.2414680 740.9661318 741.8839358
742.1668476 744.7937934 746.4364251 748.1647098 750.8391720
751.8867525 752.5788409 753.7006469 755.4692011 756.6728563
758.7450170 759.8370457 761.4056221 762.1811565 763.4293936
764.6798612 766.6814812 766.7663443 767.6505475 770.7211567
771.9019624 773.5886019 774.7076973 776.8105390 776.9121672
779.5087674 780.8462010 781.2190637 782.5513833 783.4866421
784.4285406 785.9680052 787.3205265 789.3762595 791.5061182
792.3852848 795.7438039 797.6251045 799.0748405 800.2210011
801.2640112 801.7440060 803.4966197 805.4861327 807.6969442
808.8456197 810.1963135 811.7099561 813.3316144 814.5985952
815.6937206 817.6652487 819.1835565 822.6219207 823.9746870
826.2164347 828.2448768 829.0979736 831.2636245 832.1978505
834.4679359 839.0645995 840.5872811 841.2014231 844.2129321
845.3153386 848.4619507 849.8407928 851.3428796 853.9034724
855.3734969 856.0897541 858.3001047 860.5945252 862.7030546
863.7395966 865.8515967 867.5509193 868.3542308 869.7419453
872.3310216 873.8125278 875.5524473 877.2720278 878.4803243
879.4578098 881.9750494 884.4049132 884.7187235 886.4081504
891.2217905 892.6703900 894.3777444 895.6857153 898.7852715
899.1327903 900.2960035 904.0974182 907.2722771 908.4818895
911.5990872 913.8571190 915.8621713 919.7704113 920.8185837
922.6651595 926.8328801 928.7415477 932.9810900 934.5588863
937.8803337 938.9156019 939.1299983 944.7758170 948.9489822
952.6560642 958.7264926 960.6016963 962.4205626 964.2115962
967.3505491 968.3387154 973.7860425 974.7893079 977.2096109
980.9544076 984.4428098 986.9376427 991.8360083 994.7357835
1000.0514758 1002.9338416 1006.6693943 1011.1285823 1013.5721367
1018.2655622 1022.0010388 1024.5984984 1028.6402810 1033.4330551
1036.1572619 1040.4123812 1044.5761404 1048.5894340 1052.6434958
1056.9835777 1063.5499358 1067.6721502 1071.4143160 1078.2536772
1086.5434283 1097.5729947 1105.3379686
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 240415022434281025.eigenfacs
Openam> file on opening on unit 10:
240415022434281025.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 240415022434281025.atom
Openam> file on opening on unit 11:
240415022434281025.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 = 186
First residue number = 96
Last residue number = 1291
Number of atoms found = 186
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: 9.9360E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9828E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9911E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0026E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0033E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0056E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 9.3813E-04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 5.6946E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 7.0084E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1036
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1132
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1306
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1519
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1664
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1841
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2352
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2394
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2670
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2979
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3709
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4010
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4522
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4968
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5447
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5784
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5968
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6558
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7426
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7950
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8877
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9061
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9426
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9614
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9965
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 1.044
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 1.112
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 1.167
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 1.214
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 1.320
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 1.386
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 1.435
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 1.498
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 1.576
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 1.690
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 1.783
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 1.852
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 1.875
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 1.911
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 1.997
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 2.091
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 2.141
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 2.265
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 2.302
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 2.373
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 2.468
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 2.530
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 2.611
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 2.639
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 2.720
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 2.838
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 2.881
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 3.007
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 3.147
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 3.241
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 3.275
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 3.520
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 3.567
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 3.638
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 3.736
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 3.826
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 3.930
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 3.969
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 4.026
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 4.152
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 4.192
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 4.254
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 4.398
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 4.440
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 4.493
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 4.647
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 4.702
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 4.830
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 4.922
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 4.999
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 5.037
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 5.089
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 5.227
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 5.347
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 5.367
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 5.465
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 5.555
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 5.600
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 5.648
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 5.744
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 5.908
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 6.048
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 6.114
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 6.207
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 6.373
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 6.400
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 6.559
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 6.659
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 6.708
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 6.782
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 6.819
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 6.830
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 558 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 : 0.000938
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= 0.105 for 185 C-alpha atoms.
Bfactors> = 101.240 +/- 674.56
Bfactors> = 25.341 +/- 13.27
Bfactors> Shiftng-fct= -75.899
Bfactors> Scaling-fct= 0.020
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 240415022434281025 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=-80
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=-60
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=-40
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=-20
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=0
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=20
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=40
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=60
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=80
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=100
240415022434281025.eigenfacs
240415022434281025.atom
making animated gifs
11 models are in 240415022434281025.7.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 240415022434281025.7.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 240415022434281025.7.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 240415022434281025 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=-80
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=-60
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=-40
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=-20
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=0
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=20
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=40
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=60
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=80
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=100
240415022434281025.eigenfacs
240415022434281025.atom
making animated gifs
11 models are in 240415022434281025.8.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 240415022434281025.8.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 240415022434281025.8.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 240415022434281025 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=-80
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=-60
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=-40
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=-20
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=0
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=20
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=40
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=60
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=80
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=100
240415022434281025.eigenfacs
240415022434281025.atom
making animated gifs
11 models are in 240415022434281025.9.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 240415022434281025.9.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 240415022434281025.9.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 240415022434281025 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=-80
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=-60
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=-40
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=-20
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=0
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=20
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=40
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=60
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=80
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=100
240415022434281025.eigenfacs
240415022434281025.atom
making animated gifs
11 models are in 240415022434281025.10.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 240415022434281025.10.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 240415022434281025.10.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 240415022434281025 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=-80
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=-60
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=-40
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=-20
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=0
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=20
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=40
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=60
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=80
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=100
240415022434281025.eigenfacs
240415022434281025.atom
making animated gifs
11 models are in 240415022434281025.11.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 240415022434281025.11.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 240415022434281025.11.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 240415022434281025 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=-80
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=-60
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=-40
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=-20
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=0
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=20
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=40
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=60
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=80
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=100
240415022434281025.eigenfacs
240415022434281025.atom
making animated gifs
11 models are in 240415022434281025.12.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 240415022434281025.12.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 240415022434281025.12.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 240415022434281025 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=-80
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=-60
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=-40
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=-20
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=0
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=20
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=40
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=60
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=80
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=100
240415022434281025.eigenfacs
240415022434281025.atom
making animated gifs
11 models are in 240415022434281025.13.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 240415022434281025.13.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 240415022434281025.13.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 240415022434281025 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=-80
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=-60
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=-40
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=-20
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=0
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=20
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=40
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=60
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=80
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=100
240415022434281025.eigenfacs
240415022434281025.atom
making animated gifs
11 models are in 240415022434281025.14.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 240415022434281025.14.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 240415022434281025.14.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 240415022434281025 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=-80
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=-60
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=-40
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=-20
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=0
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=20
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=40
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=60
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=80
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=100
240415022434281025.eigenfacs
240415022434281025.atom
making animated gifs
11 models are in 240415022434281025.15.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 240415022434281025.15.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 240415022434281025.15.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 240415022434281025 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=-80
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=-60
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=-40
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=-20
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=0
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=20
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=40
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=60
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=80
240415022434281025.eigenfacs
240415022434281025.atom
calculating perturbed structure for DQ=100
240415022434281025.eigenfacs
240415022434281025.atom
making animated gifs
11 models are in 240415022434281025.16.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 240415022434281025.16.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 240415022434281025.16.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
240415022434281025.10.pdb
240415022434281025.11.pdb
240415022434281025.12.pdb
240415022434281025.13.pdb
240415022434281025.14.pdb
240415022434281025.15.pdb
240415022434281025.16.pdb
240415022434281025.7.pdb
240415022434281025.8.pdb
240415022434281025.9.pdb
STDERR:
real 0m2.563s
user 0m2.551s
sys 0m0.012s
../../bin/check_modes: error while loading shared libraries: libgfortran.so.3: cannot open shared object file: No such file or directory
mv: cannot stat 'Chkmod.res': No such file or directory
cat: 240415022434281025.Chkmod.res: No such file or directory
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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