*** ***
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 = 2404260056202786858.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 2404260056202786858.atom to be opened.
Openam> File opened: 2404260056202786858.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 = 197
First residue number = 95
Last residue number = 301
Number of atoms found = 214
Mean number per residue = 1.1
Pdbmat> Coordinate statistics:
= 28.757019 +/- 9.311784 From: 9.442000 To: 52.003000
= 2.284154 +/- 8.315932 From: -18.215000 To: 23.114000
= 9.754832 +/- 10.083321 From: -8.568000 To: 31.800000
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 5.6966 % Filled.
Pdbmat> 11758 non-zero elements.
Pdbmat> 1166 atom-atom interactions.
Pdbmat> Number per atom= 10.90 +/- 3.66
Maximum number = 21
Minimum number = 2
Pdbmat> Matrix trace = 23320.0
Pdbmat> Larger element = 82.3514
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 214 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) = 642
Diagstd> Number of non-zero elements 11758
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 23320.0000006
%Diagstd-Wn: Nb on non-zero elements there: 642
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 642 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 23320.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0020816 0.0465538 0.0522461
0.1047628 0.1191717 0.1692800 0.1989750 0.2095108
0.2436045 0.2791988 0.3305982 0.3940717 0.4129783
0.4672216 0.4802376 0.5764789 0.5923812 0.6202763
0.6549554 0.7231677 0.7470386 0.8114718 0.8286631
0.8908928 0.9490927 0.9657135 1.0092431 1.0643689
1.1111412 1.1946492 1.2600135 1.3142371 1.4283826
1.4615467 1.5216247 1.5961155 1.6244864 1.6985485
1.7855745 1.8541158 1.8877272 1.9127365 2.0039724
2.0969706 2.2071609 2.2908517 2.3579762 2.4028959
2.4931469 2.5899303 2.6577825 2.7113455 2.7686090
2.8877270 3.0205006 3.0752617 3.1449076 3.2133914
3.2531281 3.3115867 3.5049694 3.5575992 3.6405887
3.7014950 3.7372767 3.8818783 3.9209970 4.0159194
4.1224390 4.1776757 4.2395966 4.4051670 4.4570308
4.5382634 4.7511712 4.7840681 4.8959398 4.9771851
5.0074713 5.1567199 5.2354285 5.3462515 5.4118697
5.5687503 5.5990956 5.6777767 5.7705212 5.8225414
5.9069286 5.9793978 6.2145143 6.2903662 6.4222538
6.6437886 6.6713015 6.7688203 6.8511358 6.9399772
7.0030894 7.0979099 7.3088814 7.3655097 7.4160023
7.6189335 7.6577251 7.8127297 7.8405872 7.9644631
7.9979908 8.0950595 8.2899688 8.3508111 8.4397826
8.5540501 8.6208193 8.7764295 8.8123855 8.8427400
9.0059105 9.2102699 9.2865847 9.3007051 9.5608040
9.6769990 9.8550259 10.0324664 10.1672203 10.2938636
10.3047120 10.5134841 10.6120863 10.6596964 10.8199213
10.8459307 10.8576959 10.9226885 11.0048301 11.0151604
11.0745279 11.2478908 11.4662206 11.5132868 11.5709476
11.7126174 11.7443844 11.9540377 11.9872386 12.1113643
12.1881722 12.2853974 12.4080336 12.4229800 12.5842543
12.7916383 12.9158641 12.9202858 13.0262627 13.2157685
13.3101174 13.3606599 13.5470496 13.7310614 13.8331119
14.0089803 14.1318150 14.2336877 14.4397651 14.5776341
14.6313456 14.8085933 14.9136655 14.9875179 15.1162377
15.2676411 15.2776056 15.3993868 15.4279646 15.6741541
15.7986090 15.8491978 15.9998976 16.0652657 16.2416285
16.3363734 16.4894239 16.5943448 16.6469076 16.6586879
16.8928662 16.9617010 17.0251627 17.1033564 17.1513690
17.2581724 17.3032943 17.4212182 17.4717104 17.5672179
17.6794446 17.8172656 17.9298871 17.9814300 18.1218079
18.2191090 18.2930261 18.3933289 18.4891990 18.7039835
18.8102723 18.8649342 18.8769783 19.0060552 19.0646067
19.2994709 19.4838515 19.5904064 19.6888287 19.7439630
19.8799212 20.0983701 20.1616882 20.1922373 20.2879692
20.3551773 20.3853529 20.5785414 20.6725276 20.8308037
20.9726920 21.0399321 21.2688682 21.3530162 21.5854599
21.6824347 21.7284422 21.8741768 21.9152350 22.0667226
22.1455578 22.2953283 22.4546953 22.5634346 22.6354137
22.7194864 22.8873073 23.0135749 23.0960684 23.1799436
23.2425881 23.2834637 23.3215209 23.4477517 23.5003890
23.5654751 23.6625251 23.6802253 23.7466185 23.8817219
24.0959075 24.1720390 24.3011455 24.3625157 24.3760582
24.4566326 24.6140824 24.7776697 24.8023351 24.9389948
24.9575454 25.1370498 25.2934659 25.3157946 25.4495960
25.5747258 25.6261756 25.7593177 25.8979467 26.0252327
26.0964997 26.1779643 26.3187116 26.3443016 26.4515170
26.5411349 26.6927108 26.9302398 27.0150514 27.1729591
27.2797988 27.3661798 27.4541136 27.6001042 27.7956100
27.9479706 28.1539798 28.2077599 28.3049137 28.5388382
28.6550473 28.7315602 28.9208434 29.1268555 29.2347657
29.2881676 29.3482876 29.4137903 29.5634029 29.6709586
29.7066453 29.8627328 30.0197385 30.1703135 30.3346645
30.4606572 30.5501657 30.5703849 30.5959636 30.9190448
31.0964602 31.1762488 31.3484455 31.4724592 31.5165780
31.7058463 31.8399497 31.9807302 32.1526758 32.4299040
32.6557777 32.7844778 32.9035155 33.1726000 33.2727326
33.5612111 33.6199163 33.8115729 33.8289423 34.0368190
34.1270969 34.2907152 34.4504722 34.6150807 34.6482726
34.7958233 34.8553482 34.9369680 35.0989463 35.2288807
35.2466138 35.4664276 35.6781295 35.7633887 36.1705775
36.2827700 36.5004208 36.5489277 36.8684980 36.9884018
37.0246003 37.2415908 37.3470583 37.4071314 37.5648405
37.7597287 37.9843758 38.2783478 38.3592555 38.7129239
38.9190255 39.0990065 39.1874490 39.3349484 39.3663969
39.7307705 39.9674166 40.0045280 40.0842209 40.2679327
40.4242903 40.5925348 40.6357102 40.9345429 41.1735179
41.2252867 41.3637803 41.3805629 41.5389717 41.6786874
41.7845995 41.8682354 42.0454602 42.2712417 42.3603906
42.5311477 42.8156630 42.9486274 43.1737318 43.2539380
43.4268848 43.5411673 43.6909168 43.8759268 44.2493798
44.3017273 44.4258776 44.4899037 44.7851902 44.8176064
44.9139628 44.9573207 45.2369507 45.3622795 45.4027536
45.4440665 45.5440381 45.7316651 46.0291796 46.2291214
46.3743114 46.4970874 46.7371247 46.8448494 47.0136395
47.2184156 47.3472968 47.5348163 47.7144684 47.7373067
48.0118117 48.0484606 48.1850751 48.4324718 48.7500567
48.7779067 49.0002152 49.3706344 49.5253844 49.5953784
49.8406741 50.0156366 50.3059880 50.3474698 50.6006057
50.6842739 50.7376489 50.9879593 51.1032450 51.1969922
51.5195737 51.8170957 52.0164705 52.2776230 52.4228164
52.5844750 52.7690848 53.0278153 53.2100188 53.3188343
53.3937355 53.4715443 53.5257617 53.5599504 53.8657174
53.9111313 53.9518998 54.1704264 54.2671101 54.3222535
54.4625063 54.5411662 54.8351033 54.8683958 54.9514956
55.1972875 55.5846733 55.6913853 55.9115759 56.0972231
56.1419472 56.3540310 56.6491778 56.7804455 56.8573169
56.9275557 57.3155220 57.4484698 57.4761908 57.7785577
58.1922201 58.3462152 58.5551939 58.5708908 58.6797872
58.7832998 59.1539179 59.3157751 59.3586773 59.7141612
60.0608262 60.2167909 60.4248161 60.4955342 60.6876959
61.0263781 61.1349207 61.3241391 61.4090657 61.6868825
62.1293904 62.2830696 62.5865900 62.6536912 62.6696599
62.6876187 62.8996792 63.0176957 63.0458964 63.5150161
63.6499600 63.7392913 64.0265245 64.2082368 64.4383467
64.5755900 64.7362420 64.9295956 64.9543884 65.4801195
65.4829028 65.6628469 65.7345357 65.9223435 66.3709931
66.5478358 66.9809465 67.1610120 67.4561686 67.7907687
67.8752969 68.0636349 68.3106582 68.5193837 68.7491485
68.8962188 69.1224638 69.3938397 69.6740349 70.0510547
70.1446277 70.5811284 70.7381906 71.2339807 71.3181333
71.5160537 71.9473760 72.5719621 72.7958988 73.0799018
73.4462282 73.5081085 73.7463148 74.2432394 74.4875590
74.5339302 74.5994030 74.7975624 74.8551208 75.0388330
75.8244438 76.0967841 76.6073233 77.0739603 77.5849441
77.9173718 78.0001191 78.3231453 78.7502930 78.9619462
79.3901174 79.5057994 79.6598777 80.0877386 80.5444193
81.1199134 81.7188310 82.2771430 82.6047564 83.0940404
83.4384689 84.1288363 84.5551580 84.6787817 85.2454367
85.4742662 86.0312627 86.3229020 86.9978661 87.3061571
87.9483017 88.0325318 88.0983906 88.5958159 89.0735080
89.8453075 90.6415051 91.1958862 91.2105357 91.5161382
92.0439643 92.1888711 93.4926740 93.8747991 93.9531023
94.5748276 95.5888706 96.5908976 97.1966453 97.8404314
98.9138817 99.0512445 99.7447151 100.2123700 101.5353239
101.9185882 102.4687617 104.2647878 106.9821800 108.4814332
109.2909151 110.4405001 111.0405588 114.7384708 119.1138234
119.3539596 126.5493375
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034196 0.0034238 0.0034251 0.0034296 0.0034330
0.0034355 0.0034401 4.9544350 23.4300242 24.8211657
35.1478631 37.4870939 44.6784483 48.4389321 49.7048175
53.5966867 57.3788749 62.4375002 68.1683654 69.7844842
74.2261183 75.2529175 82.4493049 83.5787564 85.5239748
87.8822472 92.3452964 93.8570262 97.8209753 98.8517303
102.4962572 105.7912124 106.7135141 109.0920676 112.0318150
114.4668945 118.6903668 121.8941553 124.4893353 129.7829249
131.2809244 133.9519539 137.1915736 138.4054893 141.5253572
145.1056325 147.8644270 149.1986496 150.1837184 153.7238149
157.2502897 161.3289377 164.3591036 166.7496725 168.3304781
171.4625262 174.7589072 177.0333130 178.8083164 180.6866609
184.5327040 188.7273074 190.4304162 192.5746986 194.6601680
195.8600506 197.6120144 203.3000078 204.8206721 207.1958675
208.9218502 209.9292259 213.9519451 215.0272682 217.6144723
220.4816253 221.9538284 223.5926624 227.9168672 229.2546209
231.3343518 236.6985623 237.5165934 240.2776167 242.2630476
242.9990165 246.5937419 248.4685336 251.0845402 252.6207076
256.2560645 256.9533125 258.7524276 260.8571840 262.0303347
263.9223317 265.5363639 270.7066198 272.3536775 275.1940333
279.9001833 280.4791391 282.5216746 284.2343551 286.0713090
287.3691313 289.3080516 293.5761281 294.7112289 295.7196671
299.7383904 300.5004778 303.5265464 304.0672003 306.4598136
307.1041812 308.9621677 312.6595717 313.8048194 315.4720656
317.6004974 318.8376140 321.7023360 322.3606516 322.9153642
325.8810393 329.5576970 330.9202104 331.1717000 335.7704609
337.8046536 340.8977734 343.9530282 346.2552749 348.4050843
348.5886230 352.1020972 353.7493633 354.5420067 357.1966130
357.6256774 357.8195922 358.8889240 360.2358663 360.4049054
361.3748222 364.1923558 367.7099875 368.4638971 369.3854153
371.6398350 372.1434752 375.4504163 375.9714389 377.9129849
379.1094165 380.6184933 382.5134942 382.7438080 385.2201745
388.3813481 390.2626718 390.3294695 391.9270117 394.7675912
396.1742302 396.9257139 399.6848075 402.3901438 403.8826765
406.4419659 408.2199746 409.6887108 412.6438194 414.6090739
415.3721879 417.8805751 419.3604595 420.3975126 422.1989378
424.3080306 424.4464718 426.1347923 426.5300145 429.9196901
431.6231257 432.3136245 434.3640583 435.2504584 437.6330034
438.9076056 440.9588081 442.3594766 443.0595121 443.2162508
446.3206193 447.2290260 448.0648912 449.0926557 449.7225617
451.1206236 451.7099713 453.2465853 453.9029354 455.1418536
456.5933576 458.3696008 459.8159779 460.4764171 462.2703535
463.5097211 464.4490268 465.7205999 466.9327419 469.6370336
470.9695421 471.6533548 471.8038908 473.4141920 474.1428494
477.0544840 479.3278743 480.6367814 481.8426303 482.5168056
484.1752770 486.8281694 487.5944202 487.9636832 489.1190392
489.9285239 490.2915369 492.6092640 493.7329033 495.6193947
497.3044773 498.1010386 500.8036327 501.7933427 504.5171494
505.6491756 506.1853553 507.8800326 508.3564590 510.1104237
511.0208172 512.7459235 514.5752146 515.8196520 516.6417500
517.6003185 519.5084677 520.9395420 521.8723758 522.8191275
523.5251177 523.9852651 524.4133207 525.8306339 526.4205150
527.1489919 528.2333585 528.4308883 529.1711615 530.6743521
533.0487433 533.8901680 535.3140640 535.9895792 536.1385301
537.0238943 538.7497795 540.5371028 540.8060806 542.2939418
542.4955935 544.4430186 546.1342988 546.3753053 547.8172792
549.1623729 549.7144833 551.1406671 552.6217156 553.9780934
554.7360755 555.6012518 557.0928609 557.3636285 558.4966503
559.4419448 561.0371513 563.5278581 564.4145219 566.0616696
567.1734097 568.0706715 568.9826107 570.4934215 572.5104057
574.0773590 576.1892849 576.7393449 577.7316997 580.1141042
581.2940066 582.0695561 583.9837430 586.0599998 587.1446244
587.6806356 588.2834942 588.9396255 590.4355409 591.5086083
591.8642186 593.4170968 594.9750207 596.4653121 598.0877099
599.3284787 600.2083950 600.4069813 600.6581141 603.8211410
605.5510451 606.3274215 607.9995884 609.2010171 609.6278638
611.4556403 612.7473858 614.1005238 615.7491782 618.3980506
620.5478790 621.7695011 622.8972752 625.4391117 626.3823548
629.0918990 629.6418613 631.4340063 631.5961734 633.5337606
634.3733838 635.8922787 637.3718374 638.8927423 639.1989814
640.5585594 641.1062238 641.8564156 643.3426149 644.5323240
644.6945219 646.7017007 648.6289356 649.4034806 653.0899517
654.1020314 656.0609918 656.4967795 659.3606156 660.4319321
660.7550179 662.6884363 663.6261338 664.1596435 665.5582248
667.2824653 669.2644817 671.8493050 672.5589633 675.6523120
677.4484587 679.0130814 679.7806163 681.0587430 681.3309442
684.4768656 686.5122943 686.8309473 687.5147243 689.0884131
690.4249581 691.8602285 692.2280721 694.7687130 696.7937838
697.2316972 698.4018668 698.5435345 699.8793038 701.0553320
701.9455129 702.6476674 704.1332222 706.0212665 706.7653640
708.1884372 710.5532282 711.6556880 713.5182322 714.1806956
715.6070635 716.5480430 717.7791841 719.2973026 722.3519914
722.7791398 723.7911826 724.3125550 726.7122680 726.9752231
727.7562900 728.1074770 730.3683444 731.3793855 731.7055964
732.0384174 732.8431746 734.3511635 736.7360097 738.3343946
739.4929149 740.4711714 742.3800209 743.2350868 744.5728853
746.1926819 747.2103425 748.6885480 750.1020027 750.2814979
752.4355866 752.7227105 753.7920457 755.7246663 758.1983636
758.4149049 760.1412036 763.0089538 764.2038262 764.7436582
766.6325137 767.9769422 770.2028504 770.5203359 772.4549098
773.0932737 773.5002346 775.4058896 776.2820062 776.9937117
779.4377045 781.6850645 783.1874513 785.1510149 786.2405795
787.4519293 788.8329830 790.7644703 792.1218376 792.9313761
793.4881275 794.0660779 794.4685471 794.7222338 796.9874895
797.3233872 797.6248049 799.2385211 799.9514457 800.3577771
801.3903191 801.9688326 804.1269419 804.3710131 804.9799046
806.7781883 809.6043053 810.3810759 811.9815230 813.3284460
813.6525986 815.1879918 817.3199237 818.2663242 818.8200357
819.3256452 822.1127931 823.0657177 823.2642738 825.4269201
828.3764490 829.4717988 830.9559307 831.0673006 831.8395124
832.5728817 835.1933685 836.3352181 836.6376171 839.1390819
841.5713286 842.6633079 844.1175871 844.6113985 845.9517728
848.3090064 849.0630802 850.3760309 850.9646613 852.8873864
855.9409938 856.9989397 859.0845829 859.5449863 859.6545166
859.7776803 861.2306859 862.0382559 862.2311173 865.4330703
866.3519313 866.9596709 868.9108982 870.1430434 871.7008606
872.6286581 873.7134522 875.0172794 875.1843224 878.7189901
878.7376652 879.9442028 880.4244207 881.6812379 884.6763923
885.8541995 888.7322100 889.9260017 891.8793636 894.0886044
894.6458491 895.8862058 897.5104526 898.8805936 900.3864321
901.3489847 902.8277204 904.5982421 906.4226748 908.8717808
909.4786064 912.3039995 913.3184977 916.5135445 917.0547482
918.3263612 921.0914691 925.0808968 926.5070676 928.3126273
930.6363872 931.0283469 932.5356465 935.6722224 937.2105130
937.5021909 937.9138657 939.1587358 939.5200186 940.6722139
945.5835251 947.2801395 950.4525155 953.3428589 956.4978675
958.5448274 959.0536738 961.0375129 963.6545345 964.9486487
967.5613287 968.2660054 969.2037770 971.8031350 974.5699309
978.0454107 981.6492811 984.9969408 986.9560363 989.8746871
991.9241027 996.0192249 998.5396924 999.2693823 1002.6072718
1003.9520500 1007.2178852 1008.9236359 1012.8603734 1014.6534037
1018.3780010 1018.8655463 1019.2465911 1022.1199999 1024.8718360
1029.3023869 1033.8531004 1037.0099044 1037.0931924 1038.8291392
1041.8205937 1042.6403517 1049.9873600 1052.1309364 1052.5696484
1056.0465434 1061.6929791 1067.2431629 1070.5844180 1074.1240971
1080.0003664 1080.7500106 1084.5266475 1087.0660857 1094.2180122
1096.2812334 1099.2362055 1108.8278160 1123.1842426 1131.0270388
1135.2390234 1141.1939550 1144.2899920 1163.1877208 1185.1583014
1186.3523533 1221.5892949
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404260056202786858.eigenfacs
Openam> file on opening on unit 10:
2404260056202786858.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404260056202786858.atom
Openam> file on opening on unit 11:
2404260056202786858.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 = 197
First residue number = 95
Last residue number = 301
Number of atoms found = 214
Mean number per residue = 1.1
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9168E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9411E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9487E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9747E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9946E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0009E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0036E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 2.0816E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 4.6554E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 5.2246E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1048
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1192
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1693
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1990
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2095
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2436
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2792
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3306
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3941
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4130
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4672
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4802
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5765
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5924
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6203
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6550
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7232
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7470
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8115
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8287
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8909
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9491
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9657
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 1.009
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 1.064
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 1.111
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 1.195
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 1.260
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 1.314
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 1.428
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 1.462
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 1.522
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 1.596
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 1.624
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 1.699
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 1.786
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 1.854
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 1.888
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 1.913
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 2.004
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 2.097
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 2.207
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 2.291
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 2.358
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 2.403
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 2.493
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 2.590
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 2.658
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 2.711
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 2.769
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 2.888
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 3.021
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 3.075
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 3.145
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 3.213
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 3.253
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 3.312
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 3.505
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 3.558
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 3.641
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 3.701
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 3.737
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 3.882
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 3.921
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 4.016
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 4.122
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 4.178
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 4.240
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 4.405
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 4.457
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 4.538
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 4.751
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 4.784
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 4.896
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 4.977
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 5.007
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 5.157
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 5.235
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 5.346
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 5.412
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 5.569
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 5.599
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 5.678
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 5.771
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 5.823
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 5.907
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 5.979
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 6.215
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 6.290
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 6.422
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 6.644
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 6.671
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 6.769
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 6.851
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 6.940
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 7.003
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 642 coordinates in file.
Openam> file on opening on unit 12:
bfactors.pred
Bfactors> Best zero-eigenvalue found : 0.000000
Bfactors> 7 eigenvalues less than : 0.000000
Bfactors> Lowest non-zero eigenvalue : 0.002082
Bfactors> 99 eigenvectors will be considered.
Bfactors> Rotation-Tranlation modes are skipped.
Bfactors> Mass-weighted B-factors are computed.
(CHARMM units assumed for eigenvalues)
Bfactors> Correlation= 0.421 for 213 C-alpha atoms.
Bfactors> = 44.859 +/- 297.53
Bfactors> = 21.426 +/- 12.80
Bfactors> Shiftng-fct= -23.433
Bfactors> Scaling-fct= 0.043
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404260056202786858 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=-80
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=-60
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=-40
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=-20
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=0
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=20
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=40
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=60
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=80
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=100
2404260056202786858.eigenfacs
2404260056202786858.atom
making animated gifs
11 models are in 2404260056202786858.7.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 2404260056202786858.7.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 2404260056202786858.7.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 2404260056202786858 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=-80
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=-60
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=-40
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=-20
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=0
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=20
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=40
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=60
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=80
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=100
2404260056202786858.eigenfacs
2404260056202786858.atom
making animated gifs
11 models are in 2404260056202786858.8.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 2404260056202786858.8.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 2404260056202786858.8.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 2404260056202786858 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=-80
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=-60
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=-40
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=-20
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=0
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=20
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=40
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=60
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=80
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=100
2404260056202786858.eigenfacs
2404260056202786858.atom
making animated gifs
11 models are in 2404260056202786858.9.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 2404260056202786858.9.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 2404260056202786858.9.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 2404260056202786858 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=-80
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=-60
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=-40
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=-20
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=0
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=20
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=40
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=60
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=80
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=100
2404260056202786858.eigenfacs
2404260056202786858.atom
making animated gifs
11 models are in 2404260056202786858.10.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 2404260056202786858.10.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 2404260056202786858.10.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 2404260056202786858 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=-80
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=-60
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=-40
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=-20
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=0
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=20
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=40
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=60
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=80
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=100
2404260056202786858.eigenfacs
2404260056202786858.atom
making animated gifs
11 models are in 2404260056202786858.11.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 2404260056202786858.11.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 2404260056202786858.11.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 2404260056202786858 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=-80
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=-60
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=-40
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=-20
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=0
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=20
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=40
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=60
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=80
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=100
2404260056202786858.eigenfacs
2404260056202786858.atom
making animated gifs
11 models are in 2404260056202786858.12.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 2404260056202786858.12.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 2404260056202786858.12.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 2404260056202786858 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=-80
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=-60
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=-40
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=-20
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=0
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=20
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=40
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=60
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=80
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=100
2404260056202786858.eigenfacs
2404260056202786858.atom
making animated gifs
11 models are in 2404260056202786858.13.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 2404260056202786858.13.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 2404260056202786858.13.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 2404260056202786858 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=-80
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=-60
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=-40
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=-20
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=0
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=20
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=40
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=60
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=80
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=100
2404260056202786858.eigenfacs
2404260056202786858.atom
making animated gifs
11 models are in 2404260056202786858.14.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 2404260056202786858.14.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 2404260056202786858.14.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 2404260056202786858 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=-80
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=-60
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=-40
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=-20
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=0
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=20
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=40
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=60
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=80
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=100
2404260056202786858.eigenfacs
2404260056202786858.atom
making animated gifs
11 models are in 2404260056202786858.15.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 2404260056202786858.15.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 2404260056202786858.15.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 2404260056202786858 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=-80
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=-60
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=-40
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=-20
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=0
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=20
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=40
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=60
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=80
2404260056202786858.eigenfacs
2404260056202786858.atom
calculating perturbed structure for DQ=100
2404260056202786858.eigenfacs
2404260056202786858.atom
making animated gifs
11 models are in 2404260056202786858.16.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 2404260056202786858.16.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 2404260056202786858.16.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
2404260056202786858.10.pdb
2404260056202786858.11.pdb
2404260056202786858.12.pdb
2404260056202786858.13.pdb
2404260056202786858.14.pdb
2404260056202786858.15.pdb
2404260056202786858.16.pdb
2404260056202786858.7.pdb
2404260056202786858.8.pdb
2404260056202786858.9.pdb
STDERR:
real 0m3.823s
user 0m3.806s
sys 0m0.016s
../../bin/check_modes: error while loading shared libraries: libgfortran.so.3: cannot open shared object file: No such file or directory
mv: cannot stat 'Chkmod.res': No such file or directory
cat: 2404260056202786858.Chkmod.res: No such file or directory
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
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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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
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 25th, 2023.
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