*** ***
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 = 240415041622323815.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 240415041622323815.atom to be opened.
Openam> File opened: 240415041622323815.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 = 206
First residue number = 88
Last residue number = 308
Number of atoms found = 214
Mean number per residue = 1.0
Pdbmat> Coordinate statistics:
= 0.674640 +/- 8.898785 From: -22.499000 To: 20.356000
= 0.532341 +/- 8.921086 From: -22.297000 To: 20.234000
= -0.427799 +/- 10.703140 From: -18.370000 To: 22.385000
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 5.5363 % Filled.
Pdbmat> 11427 non-zero elements.
Pdbmat> 1127 atom-atom interactions.
Pdbmat> Number per atom= 10.53 +/- 4.09
Maximum number = 25
Minimum number = 2
Pdbmat> Matrix trace = 22540.0
Pdbmat> Larger element = 104.739
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 11427
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 22540.0000006
%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 = 22540.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0297796
0.0663283 0.0760510 0.0917105 0.1337873 0.1509414
0.1829585 0.1916385 0.2195733 0.2429606 0.2732244
0.2958410 0.3160768 0.3403938 0.3863656 0.4145889
0.4661532 0.5443511 0.5692441 0.6103377 0.6393855
0.6972321 0.8051561 0.8730573 0.8867448 0.9282817
0.9521153 0.9989115 1.0142034 1.1239644 1.1437819
1.2664570 1.2986901 1.3785145 1.4440793 1.5182839
1.5606127 1.5900292 1.6673714 1.7689272 1.8117995
1.8586648 1.9290989 2.0496049 2.1025635 2.1359143
2.1968313 2.2223448 2.3683390 2.4088973 2.4203066
2.5210907 2.6615216 2.7674870 2.8038463 2.8181138
2.9170925 3.0238943 3.0849169 3.1083480 3.1806799
3.2147844 3.3729169 3.3977557 3.4730067 3.6034369
3.6441528 3.7282748 3.7740376 3.9411633 4.0886196
4.2021583 4.3092940 4.3484286 4.4359119 4.5094317
4.5737158 4.6371578 4.8348341 4.8491682 4.8870696
5.0161073 5.0679354 5.2091744 5.3620451 5.4301661
5.4518162 5.6076723 5.6783169 5.7087990 5.8934149
5.9216478 5.9724308 6.0679536 6.1458544 6.2842257
6.4044498 6.4457442 6.4612183 6.6200350 6.7707012
6.8532382 6.8751425 7.0306070 7.0690230 7.0917286
7.2736360 7.2977101 7.4505843 7.5579628 7.5682264
7.5854572 7.7872786 7.8068913 7.8734438 8.0179500
8.0588616 8.1994147 8.3097062 8.3836432 8.5662892
8.6146427 8.6392747 8.6655527 8.8597009 8.9154908
9.0077090 9.1772460 9.3775780 9.3930652 9.4998164
9.6120934 9.6858687 9.7500838 9.8661741 9.9802931
10.0566475 10.2056062 10.2697727 10.3520143 10.4742312
10.5750804 10.6342913 10.8807487 10.9352574 11.0252784
11.0886664 11.3154714 11.3894831 11.4239625 11.6140748
11.8314878 11.8733602 12.0092820 12.0533200 12.1694900
12.2978879 12.3956926 12.4544164 12.6049768 12.6429311
12.7902055 12.8309689 12.9719239 13.0940290 13.1459560
13.2967877 13.4515337 13.5651950 13.7175467 13.7351738
13.8912887 13.9494232 14.0481630 14.1755761 14.3310660
14.4348955 14.5261301 14.6666482 14.8094905 14.8738992
15.0678758 15.1267982 15.3778416 15.3799067 15.4502319
15.5246619 15.5959759 15.8144193 16.0566896 16.1385145
16.1890871 16.2687881 16.3902513 16.5491929 16.6554327
16.8369738 16.8566041 17.0026605 17.1419084 17.2448733
17.2947925 17.5659887 17.5937675 17.7385891 17.7687926
17.8374127 17.8753230 18.0724944 18.2809617 18.3529367
18.4411169 18.6086474 18.6617203 18.8189598 18.8653216
19.0676443 19.1701649 19.2104318 19.3413627 19.5018597
19.5779698 19.7574565 19.8603762 19.9320025 20.0567441
20.2861591 20.2928031 20.4497239 20.6115353 20.6825615
20.7289129 20.8665937 21.0686614 21.1400416 21.1857405
21.2782471 21.5081859 21.5884454 21.6426047 21.6994278
21.7566095 21.9684177 22.0538184 22.1347780 22.2372914
22.4025568 22.5350896 22.5884420 22.7123570 22.8508859
23.1091416 23.2677385 23.3711088 23.5299300 23.5629476
23.5961704 23.7843439 23.8710733 24.1251823 24.2541651
24.3142849 24.3744040 24.4748075 24.5997847 24.6230749
24.7256542 24.8643614 24.8708173 24.9860745 25.1262109
25.2092780 25.2634069 25.3898064 25.4589811 25.6494954
25.8036968 25.8594408 25.9333811 26.0344477 26.0441689
26.1443671 26.2637488 26.3673661 26.5108740 26.6558264
26.7407640 26.7712987 26.8767132 26.9268615 26.9659102
27.0550814 27.1247921 27.2536093 27.3340434 27.3510777
27.5590195 27.5965228 27.6386957 27.7292462 27.7953011
27.9337907 27.9881992 28.1192998 28.1796013 28.3183956
28.3863258 28.5006114 28.6661073 28.8051924 28.8412094
29.0373668 29.0727668 29.2387637 29.4477236 29.6184816
29.8419887 29.8756186 29.9584041 30.0228721 30.2296924
30.3307097 30.4288623 30.5394277 30.7483996 30.7731902
30.8350762 30.9277857 31.1815269 31.2809640 31.4816004
31.7336962 31.8065005 32.0369709 32.2194213 32.4208767
32.4909180 32.5740199 32.7365109 32.9755660 33.1231300
33.1858054 33.5550092 33.6113119 33.7756566 33.8722400
34.0305826 34.1830009 34.4532945 34.5456115 34.6478772
34.7619112 34.8012513 34.9623283 35.0649195 35.2152196
35.3689203 35.4306093 35.9124439 35.9794271 36.2348402
36.3342923 36.4884055 36.5781120 36.6868791 37.0274808
37.1374902 37.2803077 37.3702901 37.5374622 37.5829270
37.7282065 37.8526729 38.0889132 38.1682453 38.4236516
38.4919915 38.5794644 38.7251049 38.8349920 38.9613253
39.1236347 39.1764187 39.3673428 39.6008707 39.7398124
39.9369903 39.9897512 40.1802168 40.2498918 40.3419170
40.5663713 40.6743957 40.8088095 40.9828529 41.1401388
41.1872986 41.2851696 41.3875708 41.6113356 41.8135405
41.8997868 42.0517249 42.1949821 42.2717173 42.5494807
42.7370333 42.7540358 42.7689609 43.1870278 43.4250267
43.5238067 43.6155339 43.7073678 43.9936090 44.0330018
44.1669258 44.3005774 44.5004215 44.6427292 44.7607809
44.7889701 44.8553991 45.0876418 45.2487506 45.3357687
45.5300502 45.8213542 45.8958266 46.0193480 46.2286425
46.5414183 46.5916149 46.8470499 46.9660381 47.1297085
47.4071240 47.5817680 47.6177345 47.7467357 47.9614260
48.0472719 48.2060635 48.2458351 48.4131779 48.6490856
48.7946791 48.9426837 49.1000538 49.1594522 49.2884093
49.4305100 49.5687965 49.7763832 49.9262964 50.0463149
50.3737153 50.6207381 50.8210263 50.8956078 51.1803910
51.2110451 51.4329455 51.5093764 51.7255621 52.0140346
52.1655719 52.2433601 52.3337995 52.4466739 52.6488619
52.7821050 52.9955446 53.2272722 53.2967453 53.5717942
53.6576939 53.7993653 54.0317174 54.2104587 54.4848418
54.8115318 54.9942571 55.1093736 55.2368883 55.3093282
55.6505130 56.0006508 56.1859704 56.2714616 56.5107765
56.6893562 56.7910712 56.9271486 57.1539083 57.3296646
57.4686855 57.7289635 57.9017987 57.9418529 58.1870173
58.4368063 58.6095786 59.0284494 59.2542829 59.3566454
59.5751296 59.8427528 60.0723735 60.1817801 60.3695059
60.5884424 60.9618019 61.2705030 61.4767945 61.7625694
61.8947433 62.1130431 62.3110680 62.5443917 62.6633342
62.8744989 63.0368007 63.4398459 63.7920294 63.9563078
64.1149052 64.3821332 64.7686204 65.0693958 65.1889383
65.4651908 65.7848726 66.1121937 66.3584658 66.5137900
66.7585403 66.8962886 67.5298937 67.9612213 68.0532572
68.1759486 68.3740169 68.6494976 68.7407627 69.0759254
69.1263142 69.4774618 69.5754142 69.7984350 70.0205555
70.3577939 70.8004518 70.9519680 71.2711761 71.3425395
71.5887927 71.8909476 72.1361760 72.3708834 72.6713858
72.8171284 73.0763363 73.2402103 73.3723686 73.9471516
74.1839240 74.4155644 74.6636315 75.2666366 75.5245321
75.5804986 76.1964561 76.2363821 76.3941464 77.4585275
77.5210536 78.1401005 78.1993711 78.4987546 79.0219772
79.5412549 79.8223862 80.1103464 80.5971181 80.9117844
81.3100572 82.4877090 82.6114883 82.9347749 83.4243001
83.5091034 84.2950241 84.7591362 85.3521663 86.0150525
86.2592377 86.8210006 86.8882383 87.3117633 87.7980519
88.8789921 89.2649003 90.0501658 90.0829922 90.2377644
90.4752253 90.6131683 91.3723893 92.2501282 92.8171463
93.3291405 93.6920112 94.3752004 94.5016966 95.5623228
96.4186236 97.2453758 97.3288500 98.4291314 100.3899454
101.8138212 102.9170738 105.0713008 105.5428964 107.4738761
109.6848679 110.1590561 112.0581114 115.8535741 125.7237614
136.1545681 145.4196801
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034219 0.0034253 0.0034294 0.0034336 0.0034355
0.0034372 0.0034388 0.0034406 0.0034507 18.7393564
27.9669292 29.9466168 32.8855345 39.7194061 42.1890217
46.4484838 47.5375379 50.8844441 53.5258103 56.7616493
59.0642191 61.0508313 63.3557576 67.4985593 69.9204364
74.1411990 80.1188720 81.9303019 84.8360411 86.8313761
90.6742498 97.4395615 101.4650940 102.2573688 104.6249291
105.9595385 108.5322465 109.3598283 115.1255097 116.1360065
122.2054311 123.7508104 127.4972890 130.4940789 133.8048231
135.6571981 136.9297564 140.2204822 144.4276231 146.1673435
148.0457049 150.8247201 155.4641866 157.4598533 158.7037526
160.9509825 161.8829092 167.1156837 168.5405561 168.9392139
172.4207460 177.1577988 180.6500470 181.8328638 182.2949089
185.4685934 188.8332993 190.7291235 191.4520829 193.6668376
194.7023553 199.4334957 200.1664813 202.3709139 206.1359512
207.2972651 209.6762494 210.9591622 215.5795179 219.5753744
222.6032428 225.4230621 226.4443312 228.7108344 230.5983448
232.2361726 233.8412995 238.7734686 239.1271582 240.0598574
243.2084656 244.4616939 247.8447527 251.4551375 253.0473754
253.5513241 257.1500381 258.7647381 259.4583516 263.6202620
264.2509563 265.3816212 267.4954537 269.2070412 272.2207121
274.8123161 275.6968559 276.0275861 279.3993698 282.5609260
284.2779628 284.7319042 287.9331653 288.7187427 289.1820504
292.8674211 293.3516836 296.4083593 298.5366499 298.7392864
299.0791666 303.0317516 303.4131134 304.7036419 307.4871366
308.2706142 310.9472392 313.0315527 314.4210931 317.8276272
318.7233749 319.1787158 319.6637673 323.2249011 324.2409838
325.9135787 328.9663427 332.5374960 332.8119788 334.6978228
336.6698852 337.9594308 339.0778766 341.0905343 343.0575074
344.3672908 346.9082942 347.9971577 349.3877802 351.4441816
353.1320375 354.1192675 358.1992478 359.0953535 360.5703930
361.6054265 365.2848048 366.4774759 367.0317752 370.0731606
373.5209458 374.1813189 376.3169680 377.0063139 378.8187526
380.8119300 382.3232235 383.2277698 385.5372145 386.1172154
388.3595971 388.9779705 391.1087002 392.9451465 393.7235274
395.9758022 398.2732908 399.9523939 402.1920711 402.4503968
404.7310734 405.5770807 407.0099717 408.8515413 411.0877432
412.5742342 413.8760021 415.8729930 417.8932328 418.8009882
421.5230188 422.3463905 425.8365858 425.8651791 426.8377104
427.8645999 428.8461917 431.8390431 435.1342680 436.2415809
436.9245624 437.9987606 439.6307750 441.7572539 443.1729453
445.5816513 445.8413279 447.7686894 449.5985120 450.9467743
451.5989863 455.1259300 455.4856554 457.3564588 457.7456643
458.6286813 459.1157901 461.6409540 464.2958483 465.2089523
466.3252062 468.4386099 469.1061409 471.0782869 471.6581975
474.1806213 475.4536707 475.9527533 477.5719541 479.5493363
480.4841957 482.6816603 483.9372097 484.8090817 486.3237701
489.0972190 489.1773064 491.0650265 493.0040096 493.8527109
494.4057847 496.0449818 498.4409929 499.2846325 499.8239988
500.9140393 503.6132766 504.5520382 505.1845315 505.8472822
506.5133410 508.9729120 509.9612503 510.8964274 512.0781245
513.9774604 515.4955556 516.1054185 517.5191000 519.0949464
522.0200537 523.8082897 524.9705478 526.7512774 527.1207219
527.4922002 529.5913321 530.5560280 533.3724534 534.7963633
535.4587631 536.1203379 537.2234020 538.5932835 538.8481833
539.9694333 541.4818892 541.5521811 542.8055702 544.3256259
545.2246516 545.8096859 547.1733980 547.9182794 549.9645464
551.6152259 552.2107342 552.9996434 554.0761603 554.1795963
555.2446042 556.5108531 557.6075620 559.1229292 560.6493927
561.5419247 561.8624385 562.9675454 563.4925109 563.9009444
564.8325321 565.5597442 566.9010916 567.7370285 567.9139041
570.0686539 570.4564074 570.8921256 571.8265449 572.5072249
573.9317069 574.4903770 575.8343017 576.4514053 577.8692733
578.5619550 579.7254527 581.4061767 582.8149321 583.1791839
585.1590093 585.5155898 587.1847704 589.2792444 590.9852959
593.2109528 593.5451126 594.3669027 595.0060727 597.0519821
598.0487217 599.0156064 600.1029029 602.1525618 602.3952525
603.0006682 603.9064858 606.3787442 607.3448373 609.2894826
611.7241270 612.4254428 614.6402594 616.3879617 618.3119752
618.9795081 619.7705834 621.3144803 623.5788971 624.9725814
625.5635870 629.0337699 629.5612834 631.0985473 632.0002345
633.4757182 634.8927583 637.3979446 638.2513213 639.1953343
640.2463384 640.6085191 642.0893305 643.0306932 644.4073433
645.8121053 646.3750594 650.7553697 651.3619752 653.6698525
654.5662868 655.9530008 656.7588335 657.7345635 660.7807199
661.7615888 663.0328170 663.8325058 665.3156426 665.7184300
667.0038802 668.1032068 670.1847958 670.8823675 673.1232598
673.7215992 674.4866799 675.7586001 676.7166943 677.8165070
679.2269007 679.6849392 681.3391290 683.3570002 684.5547469
686.2509307 686.7040861 688.3374807 688.9340324 689.7211534
691.6372275 692.5574973 693.7008758 695.1785670 696.5112839
696.9103823 697.7379051 698.6026817 700.4886582 702.1885631
702.9123709 704.1856775 705.3841284 706.0252382 708.3410520
709.9004737 710.0416727 710.1655970 713.6280931 715.5917541
716.4051787 717.1597002 717.9143042 720.2612919 720.5836883
721.6786642 722.7697600 724.3981667 725.5555171 726.5142008
726.7429347 727.2816714 729.1620223 730.4635946 731.1656364
732.7306270 735.0709168 735.6680216 736.6573236 738.3305702
740.8240746 741.2234695 743.2525435 744.1958487 745.4914331
747.6822749 749.0582093 749.3412574 750.3555916 752.0406634
752.7133989 753.9561956 754.2671510 755.5741232 757.4127670
758.5452855 759.6948283 760.9152079 761.3753247 762.3733057
763.4714933 764.5386889 766.1379038 767.2907376 768.2124342
770.7211414 772.6085624 774.1355216 774.7033483 776.8677270
777.1003411 778.7821320 779.3605636 780.9943455 783.1691133
784.3091232 784.8936779 785.5727556 786.4194679 787.9338787
788.9302954 790.5238186 792.2502509 792.7671108 794.8100983
795.4470617 796.4964718 798.2145986 799.5337877 801.5546303
803.9540918 805.2930481 806.1354459 807.0675441 807.5965813
810.0836491 812.6280655 813.9715452 814.5905699 816.3209040
817.6097144 818.3428846 819.3227156 820.9529113 822.2142146
823.2105205 825.0725913 826.3067637 826.5925183 828.3394174
830.1154876 831.3417275 834.3071541 835.9015943 836.6232977
838.1616349 840.0421188 841.6522251 842.4183048 843.7311647
845.2597214 847.8600607 850.0040661 851.4338016 853.4104523
854.3231275 855.8283800 857.1915429 858.7949200 859.6111300
861.0582827 862.1689179 864.9207973 867.3182594 868.4343082
869.5104034 871.3205587 873.9319227 875.9587745 876.7630410
878.6188154 880.7614531 882.9499049 884.5928987 885.6275696
887.2554920 888.1703936 892.3666132 895.2119436 895.8179048
896.6250640 897.9265802 899.7336471 900.3315176 902.5237434
902.8528658 905.1431148 905.7809456 907.2315040 908.6739049
910.8594889 913.7203445 914.6975233 916.7527959 917.2116504
918.7932575 920.7301918 922.2992137 923.7984246 925.7143611
926.6421575 928.2899812 929.3302454 930.1683321 933.8045921
935.2983779 936.7574814 938.3175408 942.0989830 943.7116189
944.0612166 947.9003130 948.1486242 949.1291712 955.7182930
956.1039525 959.9138611 960.2778479 962.1142868 965.3153809
968.4818800 970.1918756 971.9402896 974.8887009 976.7899211
979.1910009 986.2565515 986.9962521 988.9255909 991.8398791
992.3438688 997.0025060 999.7433897 1003.2347212 1007.1229896
1008.5515197 1011.8302842 1012.2220094 1014.6859802 1017.5077369
1023.7521829 1025.9723165 1030.4751866 1030.6629913 1031.5480061
1032.9043751 1033.6914832 1038.0129486 1042.9866976 1046.1871611
1049.0686606 1051.1061110 1054.9314107 1055.6381647 1061.5455377
1066.2910010 1070.8527583 1071.3122633 1077.3507211 1088.0287949
1095.7176286 1101.6382204 1113.1080788 1115.6032850 1125.7623925
1137.2832384 1139.7389317 1149.5210531 1168.8263624 1217.5981041
1267.1014523 1309.5041309
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 240415041622323815.eigenfacs
Openam> file on opening on unit 10:
240415041622323815.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 240415041622323815.atom
Openam> file on opening on unit 11:
240415041622323815.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 = 206
First residue number = 88
Last residue number = 308
Number of atoms found = 214
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: 9.9298E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9495E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9733E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9979E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0009E-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: 1.0028E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0039E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0098E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 2.9780E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 6.6328E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 7.6051E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 9.1711E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1338
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1509
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1830
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1916
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2196
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2430
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2732
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2958
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3161
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3404
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3864
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4146
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4662
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5444
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5692
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6103
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6394
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6972
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8052
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8731
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8867
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9283
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9521
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9989
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 1.014
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 1.124
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 1.144
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 1.266
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 1.299
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 1.379
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 1.444
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 1.518
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 1.561
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 1.590
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 1.667
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 1.769
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 1.812
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 1.859
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 1.929
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 2.050
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 2.103
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 2.136
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 2.197
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 2.222
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 2.368
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 2.409
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 2.420
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 2.521
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 2.662
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 2.767
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 2.804
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 2.818
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 2.917
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 3.024
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 3.085
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 3.108
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 3.181
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 3.215
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 3.373
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 3.398
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 3.473
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 3.603
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 3.644
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 3.728
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 3.774
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 3.941
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 4.089
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 4.202
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 4.309
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 4.348
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 4.436
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 4.509
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 4.574
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 4.637
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 4.835
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 4.849
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 4.887
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 5.016
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 5.068
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 5.209
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 5.362
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 5.430
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 5.452
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 5.608
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 5.678
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 5.709
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 5.893
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 5.922
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 5.972
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 6.068
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 6.146
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 6.284
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 6.404
%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> 9 eigenvalues less than : 0.000000
Bfactors> Lowest non-zero eigenvalue : 0.029780
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= 0.259 for 213 C-alpha atoms.
Bfactors> = 12.140 +/- 26.91
Bfactors> = 23.633 +/- 5.57
Bfactors> Shiftng-fct= 11.493
Bfactors> Scaling-fct= 0.207
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 240415041622323815 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=-80
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=-60
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=-40
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=-20
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=0
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=20
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=40
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=60
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=80
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=100
240415041622323815.eigenfacs
240415041622323815.atom
making animated gifs
11 models are in 240415041622323815.7.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 240415041622323815.7.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 240415041622323815.7.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 240415041622323815 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=-80
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=-60
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=-40
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=-20
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=0
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=20
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=40
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=60
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=80
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=100
240415041622323815.eigenfacs
240415041622323815.atom
making animated gifs
11 models are in 240415041622323815.8.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 240415041622323815.8.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 240415041622323815.8.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 240415041622323815 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=-80
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=-60
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=-40
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=-20
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=0
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=20
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=40
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=60
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=80
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=100
240415041622323815.eigenfacs
240415041622323815.atom
making animated gifs
11 models are in 240415041622323815.9.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 240415041622323815.9.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 240415041622323815.9.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 240415041622323815 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=-80
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=-60
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=-40
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=-20
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=0
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=20
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=40
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=60
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=80
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=100
240415041622323815.eigenfacs
240415041622323815.atom
making animated gifs
11 models are in 240415041622323815.10.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 240415041622323815.10.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 240415041622323815.10.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 240415041622323815 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=-80
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=-60
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=-40
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=-20
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=0
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=20
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=40
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=60
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=80
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=100
240415041622323815.eigenfacs
240415041622323815.atom
making animated gifs
11 models are in 240415041622323815.11.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 240415041622323815.11.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 240415041622323815.11.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 240415041622323815 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=-80
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=-60
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=-40
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=-20
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=0
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=20
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=40
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=60
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=80
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=100
240415041622323815.eigenfacs
240415041622323815.atom
making animated gifs
11 models are in 240415041622323815.12.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 240415041622323815.12.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 240415041622323815.12.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 240415041622323815 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=-80
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=-60
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=-40
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=-20
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=0
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=20
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=40
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=60
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=80
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=100
240415041622323815.eigenfacs
240415041622323815.atom
making animated gifs
11 models are in 240415041622323815.13.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 240415041622323815.13.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 240415041622323815.13.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 240415041622323815 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=-80
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=-60
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=-40
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=-20
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=0
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=20
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=40
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=60
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=80
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=100
240415041622323815.eigenfacs
240415041622323815.atom
making animated gifs
11 models are in 240415041622323815.14.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 240415041622323815.14.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 240415041622323815.14.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 240415041622323815 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=-80
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=-60
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=-40
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=-20
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=0
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=20
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=40
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=60
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=80
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=100
240415041622323815.eigenfacs
240415041622323815.atom
making animated gifs
11 models are in 240415041622323815.15.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 240415041622323815.15.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 240415041622323815.15.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 240415041622323815 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=-80
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=-60
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=-40
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=-20
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=0
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=20
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=40
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=60
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=80
240415041622323815.eigenfacs
240415041622323815.atom
calculating perturbed structure for DQ=100
240415041622323815.eigenfacs
240415041622323815.atom
making animated gifs
11 models are in 240415041622323815.16.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 240415041622323815.16.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 240415041622323815.16.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
240415041622323815.10.pdb
240415041622323815.11.pdb
240415041622323815.12.pdb
240415041622323815.13.pdb
240415041622323815.14.pdb
240415041622323815.15.pdb
240415041622323815.16.pdb
240415041622323815.7.pdb
240415041622323815.8.pdb
240415041622323815.9.pdb
STDERR:
real 0m3.653s
user 0m3.641s
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: 240415041622323815.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 25th, 2023.
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