*** ***
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 = 240414232654209310.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 240414232654209310.atom to be opened.
Openam> File opened: 240414232654209310.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 = 184
First residue number = 97
Last residue number = 1292
Number of atoms found = 184
Mean number per residue = 1.0
Pdbmat> Coordinate statistics:
= 125.079875 +/- 9.559304 From: 104.174000 To: 144.873000
= -28.771408 +/- 8.008057 From: -46.624000 To: -8.704000
= -263.865310 +/- 9.676259 From: -284.180000 To: -243.328000
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 6.0271 % Filled.
Pdbmat> 9199 non-zero elements.
Pdbmat> 900 atom-atom interactions.
Pdbmat> Number per atom= 9.78 +/- 3.28
Maximum number = 17
Minimum number = 2
Pdbmat> Matrix trace = 18000.0
Pdbmat> Larger element = 68.6172
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 184 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) = 552
Diagstd> Number of non-zero elements 9199
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 18000.0000006
%Diagstd-Wn: Nb on non-zero elements there: 552
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 552 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 18000.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0069769
0.0579578 0.0709154 0.0951164 0.0976848 0.1265373
0.1500927 0.1811843 0.2041271 0.3060189 0.3384930
0.3737746 0.3918680 0.4473728 0.5053376 0.5143592
0.5731907 0.6456085 0.7303142 0.8100417 0.8848778
0.9112111 0.9432420 0.9831386 1.0493481 1.0589004
1.0694713 1.1688299 1.2303228 1.2525413 1.4126506
1.4900674 1.5385517 1.5735910 1.6634231 1.7178220
1.7946713 1.8686738 1.9346004 1.9766201 2.0801377
2.1312057 2.2275961 2.3108420 2.3903981 2.4377257
2.5421987 2.6631261 2.7335318 2.7832370 2.8182032
2.9474940 3.0485729 3.1084119 3.2432073 3.3377253
3.4275070 3.4957728 3.5216090 3.6013785 3.6900305
3.7650495 3.8833582 3.9656343 4.0410950 4.1842374
4.2440694 4.3230012 4.3471637 4.4950047 4.5741602
4.6432576 4.7014661 4.8193656 4.8698095 4.9543201
5.0248788 5.2560201 5.2913736 5.4137588 5.5160739
5.5978255 5.7326601 5.8474217 5.8888974 5.9414454
6.0045697 6.0321270 6.2733694 6.3759540 6.4234146
6.6019456 6.6704072 6.7633802 6.7877553 6.8517302
6.9462852 7.0091502 7.0256000 7.1316780 7.3211964
7.4020309 7.5141213 7.7231754 7.7704054 7.8535519
8.0846148 8.1430460 8.3778069 8.4563297 8.5265399
8.6106716 8.7258290 8.8464582 8.8748674 9.1141204
9.1792195 9.3995545 9.4377145 9.6376234 9.8466137
9.8576786 9.8765912 9.9594685 10.1073500 10.2455799
10.3701813 10.5370337 10.7136926 10.7699216 10.9554689
11.1037706 11.2363159 11.3573475 11.5906486 11.6563575
11.7258349 11.9802911 12.0163712 12.1051140 12.1652542
12.3248726 12.3879949 12.5730336 12.7694031 12.8554678
12.9520498 13.0376124 13.1269870 13.3177241 13.4551575
13.5701978 13.7486946 13.8340639 13.9494513 13.9775430
14.1380831 14.2513456 14.3499691 14.4755835 14.5816462
14.7177642 14.7981938 14.9350711 15.1551608 15.3354588
15.4262067 15.4570624 15.6123203 15.7472069 15.9300245
16.0918903 16.1371447 16.2076239 16.3820991 16.4287188
16.5262556 16.6693709 16.8001376 16.8506100 17.1204671
17.2499346 17.2851164 17.5408366 17.6092442 17.6963849
17.7632132 18.0567448 18.2356816 18.4072157 18.5397515
18.6605826 18.7341984 18.8041070 18.9098393 19.0666484
19.1073481 19.2527788 19.3395097 19.3953118 19.5176124
19.6975708 19.8788714 19.9740472 20.1042025 20.2722069
20.4972689 20.5432450 20.6740714 20.8160295 20.9928484
21.0457178 21.1757963 21.3046041 21.4750894 21.5882286
21.6634621 21.7290170 21.8544529 21.9815609 22.0235699
22.1718739 22.4530546 22.5241930 22.6648316 22.7636221
22.8854251 23.0610133 23.0878760 23.2792720 23.3339451
23.4161256 23.4866291 23.5113400 23.6231653 23.6615663
23.7988084 23.8721841 23.9795327 24.0987081 24.2631362
24.4051837 24.4655345 24.6174062 24.6705882 24.8760733
24.9533066 25.0282218 25.1121253 25.3098769 25.3838891
25.4269370 25.5122768 25.6371769 25.7758277 25.9525812
26.1091872 26.2034681 26.4189732 26.5020114 26.6188563
26.7409035 26.7919203 27.0594914 27.0691603 27.2486885
27.3073736 27.5315746 27.5978753 27.6857834 27.8160489
27.9116843 27.9784595 28.0455068 28.1930955 28.2326294
28.3672630 28.6244651 28.8203550 28.9469522 29.0727087
29.2122161 29.3785776 29.4173148 29.5563193 29.7643528
29.8529837 30.0005654 30.1616201 30.2471108 30.3198818
30.5852427 30.8210832 30.9769459 31.0183754 31.2928435
31.3607061 31.4857917 31.6040163 31.8804575 32.0268190
32.1869685 32.4364416 32.6655008 32.8530710 32.9748633
33.1458928 33.1906944 33.4841421 33.6330705 33.8898448
34.0751154 34.1260514 34.2117360 34.4093188 34.5128080
34.7739127 34.8715485 34.9765545 35.2767275 35.3035767
35.4404808 35.6568289 35.8324778 35.8971587 35.9858697
36.1896963 36.2729698 36.4095102 36.5934243 36.7421640
36.9285655 37.0680144 37.2451891 37.3704578 37.4908623
37.7412024 37.8879423 38.0248254 38.2038135 38.3272438
38.7088280 38.7720172 38.9071169 39.0729649 39.3571487
39.5526272 39.8794982 39.9121565 39.9683715 40.2152687
40.3228486 40.5937846 40.6529562 40.7408448 41.0239413
41.0472906 41.2956234 41.4892491 41.6218372 41.7044214
41.8754355 42.0651068 42.1527263 42.2830936 42.5401773
43.1085354 43.1827154 43.4371241 43.6846742 43.7817195
43.9194371 44.0875863 44.2344771 44.4194626 44.5894383
44.7017805 45.0994967 45.2914380 45.4245594 45.5278655
45.7280628 46.0141541 46.1731057 46.2660518 46.3989237
46.6748802 46.7864499 46.8580739 47.0475614 47.2496636
47.3243826 47.4065976 47.7617341 47.9349617 48.1118089
48.3437730 48.5373993 48.5815914 48.7530800 48.9357385
49.1184826 49.4020405 49.7720610 50.0536455 50.2373145
50.3104170 50.4528740 50.8375733 50.8989077 51.1134570
51.1751626 51.2846270 51.5281053 51.7405674 52.0027604
52.2015376 52.3440979 52.5282094 52.7500078 53.0010629
53.1242085 53.4740118 53.6143062 53.8703838 54.1318009
54.1916823 54.6054372 54.6902102 54.9132731 55.1246522
55.2857021 55.3364290 55.4612339 55.7576795 56.1731623
56.2651343 56.3983794 56.7883828 56.9360476 57.2065221
57.3109879 57.9417358 58.1004912 58.2853465 58.4837537
58.6619224 58.9752694 59.0767202 59.3710292 59.7782333
59.9567009 60.1866502 60.4943373 60.7131705 60.8862977
61.2886003 61.4821059 61.6477808 61.9180428 62.2127348
62.7022048 62.7917979 63.0638560 63.2643670 63.7386628
63.8920277 64.1351474 64.2120649 64.6178999 64.7810091
65.0797846 65.3074404 65.5991216 66.1231392 66.3937534
66.8556055 67.1500028 67.3523533 67.8835664 68.1416703
68.3142657 68.6383381 68.9058484 69.4026107 69.4592650
70.0303645 70.0750952 70.8149455 71.0303832 71.3421203
71.7977981 72.5861939 72.7079835 73.1909852 73.4421393
73.7926422 74.1336786 74.5136969 75.1846341 75.5986198
75.8328727 76.1056656 76.2863302 77.4675472 77.5543034
78.6126318 79.1333765 80.1575967 80.4990537 80.7623688
81.5438674 81.7732002 82.0990385 82.7123074 82.7813447
83.1855863 83.9865476 84.4690682 84.7000312 85.3399233
85.5082963 86.7228522 87.5364649 87.6647913 88.1848362
89.3008236 90.1834384 90.2721963 90.9773945 91.7309737
91.8732835 92.5437679 93.4479819 93.7715648 95.3603646
95.6594161 96.2107728 97.5858509 101.1296759 102.0946110
103.5363023 103.8664883
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034230 0.0034270 0.0034305 0.0034326 0.0034364
0.0034373 0.0034378 0.0034414 0.0034457 9.0704278
26.1427364 28.9178289 33.4906099 33.9397602 38.6282069
42.0702476 46.2227276 49.0620406 60.0716281 63.1786210
66.3896220 67.9775022 72.6323430 77.1944510 77.8804616
82.2138219 87.2529082 92.8004671 97.7347422 102.1496625
103.6584649 105.4646349 107.6719694 111.2384841 111.7436470
112.3000246 117.4007686 120.4494466 121.5321868 129.0662422
132.5556481 134.6949538 136.2201056 140.0543617 142.3260370
145.4747905 148.4437895 151.0396312 152.6711178 156.6178748
158.5287235 162.0740577 165.0746591 167.8921541 169.5460599
173.1410407 177.2111904 179.5383985 181.1633624 182.2978004
186.4325532 189.6022866 191.4540522 195.5611730 198.3903657
201.0409172 203.0331172 203.7820137 206.0770668 208.5980581
210.7078072 213.9927224 216.2477563 218.2955135 222.1280670
223.7105764 225.7812934 226.4113927 230.2291729 232.2474572
233.9950502 235.4571773 238.3911985 239.6355614 241.7059342
243.4210186 248.9566838 249.7925565 252.6647936 255.0411846
256.9241669 260.0000180 262.5895786 263.5192061 264.6923171
266.0947009 266.7046077 271.9854753 274.2002645 275.2189014
279.0173766 280.4603388 282.4081214 282.9165597 284.2466838
286.2012887 287.4934567 287.8306185 289.9954230 293.8233524
295.4409747 297.6695304 301.7819291 302.7032746 304.3184891
308.7627831 309.8765595 314.3116310 315.7811740 317.0893775
318.6499056 320.7736086 322.9832458 323.5014386 327.8329951
329.0017115 332.9269222 333.6020396 337.1166913 340.7522484
340.9436511 341.2705559 342.6994140 345.2342967 347.5870225
349.6942211 352.4962203 355.4388302 356.3703393 359.4270563
361.8516200 364.0049175 365.9601001 369.6997447 370.7462014
371.8494714 375.8624712 376.4280242 377.8154575 378.7528197
381.2294995 382.2044939 385.0483952 388.0436484 389.3491431
390.8089795 392.0977160 393.4393631 396.2874204 398.3269339
400.0261374 402.6484319 403.8965730 405.5774901 405.9856640
408.3104967 409.9427555 411.3587717 413.1552924 414.6661251
416.5970599 417.7338181 419.6613051 422.7421527 425.2493579
426.5057138 426.9320520 429.0708464 430.9203933 433.4145655
435.6109743 436.2230677 437.1746344 439.5214292 440.1463734
441.4510076 443.3583428 445.0939589 445.7620515 449.3172427
451.0129442 451.4726385 454.7999749 455.6859500 456.8120566
457.6737922 461.4397572 463.7204845 465.8963751 467.5706425
469.0918418 470.0162119 470.8923528 472.2143704 474.1682381
474.6740479 476.4770536 477.5490765 478.2375395 479.7429761
481.9495908 484.1624930 485.3201420 486.8988015 488.9289979
491.6355504 492.1866202 493.7513389 495.4436050 497.5433953
498.1695192 499.7066801 501.2241804 503.2256508 504.5495047
505.4279007 506.1920496 507.6510040 509.1251422 509.6114044
511.3243558 514.5564150 515.3709092 516.9773650 518.1028291
519.4871055 521.4761773 521.7798104 523.9380960 524.5529894
525.4758959 526.2663787 526.5431553 527.7938487 528.2226568
529.7523438 530.5683725 531.7599656 533.0797199 534.8952586
536.4587349 537.1216205 538.7861541 539.3678201 541.6094009
542.4495229 543.2631881 544.1730318 546.3114419 547.1096328
547.5733504 548.4914839 549.8324666 551.3172614 553.2043159
554.8709099 555.8718328 558.1529793 559.0294640 560.2604634
561.5433892 562.0787955 564.8785643 564.9794766 566.8499104
567.4599908 569.7847295 570.4703859 571.3782292 572.7208592
573.7045609 574.3904091 575.0782286 576.5894101 576.9935304
578.3676557 580.9837298 582.9683046 584.2472838 585.5150039
586.9181403 588.5869956 588.9749098 590.3648003 592.4388117
593.3202241 594.7849904 596.3793718 597.2239686 597.9419625
600.5528691 602.8638315 604.3862545 604.7902821 607.4601520
608.1184730 609.3300397 610.4729413 613.1370396 614.5428684
616.0774566 618.4603789 620.6402552 622.4196086 623.5722531
625.1872914 625.6096647 628.3691692 629.7650266 632.1644510
633.8900689 634.3636667 635.1595556 636.9910315 637.9482170
640.3568507 641.2551956 642.2199509 644.9698683 645.2152656
646.4650981 648.4352841 650.0304488 650.6168663 651.4202905
653.2625319 654.0136877 655.2434658 656.8962851 658.2299599
659.8975245 661.1422962 662.7204500 663.8339960 664.9025443
667.1187490 668.4143887 669.6207374 671.1948856 672.2782715
675.6165686 676.1677896 677.3448067 678.7869185 681.2509079
682.9406258 685.7568003 686.0375336 686.5204948 688.6376572
689.5581296 691.8708795 692.3749495 693.1229758 695.5269641
695.7248698 697.8262358 699.4602961 700.5770456 701.2717275
702.7080825 704.2977134 705.0308402 706.1202360 708.2636094
712.9792889 713.5924626 715.6914221 717.7279031 718.5246755
719.6538662 721.0301776 722.2303413 723.7389240 725.1223324
726.0352238 729.2578755 730.8080708 731.8812851 732.7130474
734.3222404 736.6157517 737.8869404 738.6292474 739.6891246
741.8855054 742.7716622 743.3399889 744.8414536 746.4395473
747.0295112 747.6781236 750.4734346 751.8331533 753.2187516
755.0323349 756.5428504 756.8871791 758.2218736 759.6409244
761.0579924 763.2516008 766.1046398 768.2686946 769.6769628
770.2367548 771.3264697 774.2615381 774.7284618 776.3595643
776.8280449 777.6584241 779.5022391 781.1076189 783.0842315
784.5794487 785.6500454 787.0305283 788.6903818 790.5649752
791.4828641 794.0843996 795.1253968 797.0220107 798.9535269
799.3953118 802.4412110 803.0638497 804.6998963 806.2471854
807.4240758 807.7944128 808.7048430 810.8632654 813.8787639
814.5447716 815.5086888 818.3235147 819.3867527 821.3306934
822.0802744 826.5916827 827.7233031 829.0390197 830.4488730
831.7128778 833.9312471 834.6482141 836.7246604 839.5891513
840.8415115 842.4523896 844.6030433 846.1293050 847.3348402
850.1295886 851.4705818 852.6170324 854.4839118 856.5149088
859.8777005 860.4918062 862.3539188 863.7237541 866.9553964
867.9977830 869.6476524 870.1689820 872.9144845 874.0155002
876.0286985 877.5595797 879.5171094 883.0229922 884.8280687
887.9002813 889.8530592 891.1927967 894.7003465 896.3996282
897.5341516 899.6605149 901.4119734 904.6554086 905.0245745
908.7375495 909.0277235 913.8138645 915.2028398 917.2089554
920.1335009 925.1715994 925.9474291 929.0178891 930.6104817
932.8285097 934.9815815 937.3749335 941.5856381 944.1743839
945.6360808 947.3354182 948.4591746 955.7739358 956.3089733
962.8118976 965.9955564 972.2268797 974.2954355 975.8876108
980.5978410 981.9757827 983.9302569 987.5983333 988.0104056
990.4198163 995.1765752 998.0312314 999.3947543 1003.1627664
1004.1518832 1011.2582009 1015.9908163 1016.7352530 1019.7465308
1026.1787388 1031.2374468 1031.7447905 1035.7668987 1040.0477575
1040.8542006 1044.6453347 1049.7363683 1051.5522617 1060.4232271
1062.0846768 1065.1410729 1072.7257530 1092.0300470 1097.2275146
1104.9474031 1106.7078858
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 240414232654209310.eigenfacs
Openam> file on opening on unit 10:
240414232654209310.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 240414232654209310.atom
Openam> file on opening on unit 11:
240414232654209310.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 = 184
First residue number = 97
Last residue number = 1292
Number of atoms found = 184
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: 9.9598E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9798E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9923E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0014E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0019E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0022E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0044E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0068E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 6.9769E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 5.7958E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 7.0915E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 9.5116E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 9.7685E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1265
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1501
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1812
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2041
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3060
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3385
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3738
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3919
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4474
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5053
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5144
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5732
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6456
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7303
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8100
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8849
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9112
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9432
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9831
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 1.049
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 1.059
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 1.069
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 1.169
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 1.230
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 1.253
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 1.413
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 1.490
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 1.539
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 1.574
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 1.663
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 1.718
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 1.795
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 1.869
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 1.935
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 1.977
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 2.080
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 2.131
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 2.228
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 2.311
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 2.390
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 2.438
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 2.542
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 2.663
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 2.734
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 2.783
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 2.818
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 2.947
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 3.049
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 3.108
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 3.243
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 3.338
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 3.428
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 3.496
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 3.522
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 3.601
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 3.690
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 3.765
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 3.883
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 3.966
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 4.041
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 4.184
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 4.244
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 4.323
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 4.347
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 4.495
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 4.574
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 4.643
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 4.701
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 4.819
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 4.870
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 4.954
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 5.025
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 5.256
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 5.291
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 5.414
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 5.516
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 5.598
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 5.733
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 5.847
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 5.889
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 5.941
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 6.005
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 6.032
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 6.273
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 6.376
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 6.423
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 6.602
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 6.670
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 6.763
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 6.788
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 6.852
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 6.946
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 552 coordinates in file.
Openam> file on opening on unit 12:
bfactors.pred
Bfactors> Best zero-eigenvalue found : 0.000000
Bfactors> 9 eigenvalues less than : 0.000000
Bfactors> Lowest non-zero eigenvalue : 0.006977
Bfactors> 97 eigenvectors will be considered.
Bfactors> Rotation-Tranlation modes are skipped.
Bfactors> Mass-weighted B-factors are computed.
(CHARMM units assumed for eigenvalues)
Bfactors> Correlation= 0.178 for 183 C-alpha atoms.
Bfactors> = 23.233 +/- 115.20
Bfactors> = 27.127 +/- 13.78
Bfactors> Shiftng-fct= 3.894
Bfactors> Scaling-fct= 0.120
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 240414232654209310 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=-80
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=-60
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=-40
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=-20
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=0
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=20
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=40
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=60
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=80
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=100
240414232654209310.eigenfacs
240414232654209310.atom
making animated gifs
11 models are in 240414232654209310.7.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 240414232654209310.7.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 240414232654209310.7.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 240414232654209310 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=-80
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=-60
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=-40
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=-20
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=0
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=20
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=40
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=60
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=80
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=100
240414232654209310.eigenfacs
240414232654209310.atom
making animated gifs
11 models are in 240414232654209310.8.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 240414232654209310.8.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 240414232654209310.8.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 240414232654209310 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=-80
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=-60
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=-40
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=-20
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=0
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=20
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=40
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=60
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=80
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=100
240414232654209310.eigenfacs
240414232654209310.atom
making animated gifs
11 models are in 240414232654209310.9.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 240414232654209310.9.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 240414232654209310.9.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 240414232654209310 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=-80
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=-60
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=-40
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=-20
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=0
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=20
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=40
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=60
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=80
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=100
240414232654209310.eigenfacs
240414232654209310.atom
making animated gifs
11 models are in 240414232654209310.10.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 240414232654209310.10.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 240414232654209310.10.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 240414232654209310 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=-80
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=-60
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=-40
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=-20
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=0
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=20
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=40
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=60
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=80
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=100
240414232654209310.eigenfacs
240414232654209310.atom
making animated gifs
11 models are in 240414232654209310.11.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 240414232654209310.11.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 240414232654209310.11.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 240414232654209310 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=-80
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=-60
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=-40
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=-20
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=0
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=20
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=40
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=60
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=80
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=100
240414232654209310.eigenfacs
240414232654209310.atom
making animated gifs
11 models are in 240414232654209310.12.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 240414232654209310.12.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 240414232654209310.12.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 240414232654209310 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=-80
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=-60
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=-40
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=-20
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=0
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=20
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=40
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=60
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=80
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=100
240414232654209310.eigenfacs
240414232654209310.atom
making animated gifs
11 models are in 240414232654209310.13.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 240414232654209310.13.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 240414232654209310.13.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 240414232654209310 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=-80
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=-60
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=-40
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=-20
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=0
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=20
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=40
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=60
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=80
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=100
240414232654209310.eigenfacs
240414232654209310.atom
making animated gifs
11 models are in 240414232654209310.14.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 240414232654209310.14.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 240414232654209310.14.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 240414232654209310 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=-80
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=-60
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=-40
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=-20
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=0
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=20
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=40
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=60
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=80
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=100
240414232654209310.eigenfacs
240414232654209310.atom
making animated gifs
11 models are in 240414232654209310.15.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 240414232654209310.15.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 240414232654209310.15.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 240414232654209310 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=-80
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=-60
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=-40
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=-20
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=0
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=20
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=40
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=60
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=80
240414232654209310.eigenfacs
240414232654209310.atom
calculating perturbed structure for DQ=100
240414232654209310.eigenfacs
240414232654209310.atom
making animated gifs
11 models are in 240414232654209310.16.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 240414232654209310.16.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 240414232654209310.16.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
240414232654209310.10.pdb
240414232654209310.11.pdb
240414232654209310.12.pdb
240414232654209310.13.pdb
240414232654209310.14.pdb
240414232654209310.15.pdb
240414232654209310.16.pdb
240414232654209310.7.pdb
240414232654209310.8.pdb
240414232654209310.9.pdb
STDERR:
real 0m2.390s
user 0m2.378s
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: 240414232654209310.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 25th, 2023.
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