*** ***
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 = 2402181453523311797.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 2402181453523311797.atom to be opened.
Openam> File opened: 2402181453523311797.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 = 188
First residue number = 96
Last residue number = 290
Number of atoms found = 199
Mean number per residue = 1.1
Pdbmat> Coordinate statistics:
= 1.820136 +/- 7.597402 From: -16.942000 To: 20.028000
= -15.613603 +/- 10.288456 From: -37.068000 To: 4.885000
= 11.895603 +/- 9.359768 From: -7.801000 To: 32.625000
Pdbmat> Masses are all set to one.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijf
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 5.8089 % Filled.
Pdbmat> 10369 non-zero elements.
Pdbmat> 1020 atom-atom interactions.
Pdbmat> Number per atom= 10.25 +/- 3.31
Maximum number = 19
Minimum number = 4
Pdbmat> Matrix trace = 20400.0
Pdbmat> Larger element = 74.9138
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 199 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) = 597
Diagstd> Number of non-zero elements 10369
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 20400.0000006
%Diagstd-Wn: Nb on non-zero elements there: 597
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 597 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 20400.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0011406 0.0593334 0.0968769 0.1090555
0.1169507 0.1452202 0.1519547 0.1774569 0.2272861
0.2434794 0.3707968 0.3965448 0.4331493 0.4477367
0.5087787 0.5311485 0.5871003 0.6266456 0.6836475
0.7319860 0.7545374 0.7891533 0.8345755 0.8535458
0.9088883 0.9265424 0.9681091 1.0337756 1.1160148
1.1601930 1.2076211 1.2770280 1.3080533 1.4209900
1.4828301 1.5315178 1.6884931 1.7666506 1.7785183
1.8231284 1.8829625 1.9954090 2.0341244 2.0536253
2.1077785 2.2096054 2.3059165 2.3754692 2.4614630
2.5630769 2.5880662 2.7091948 2.7823534 2.8592987
2.9594473 3.1086867 3.1350122 3.2726978 3.3314093
3.5463860 3.6131781 3.7114733 3.7580076 3.8399360
3.9117282 4.0019347 4.1453189 4.1844832 4.2497612
4.3236292 4.3721282 4.5058150 4.6866500 4.8384663
4.9190458 5.0091524 5.0795415 5.2178762 5.2385552
5.3333543 5.3888647 5.4839327 5.5581923 5.6066130
5.6448686 5.8062863 5.9892029 6.1383418 6.2428769
6.2733620 6.3974874 6.4389797 6.6056375 6.7179900
6.7683121 6.8133292 6.8783675 6.9156770 7.0255559
7.1040367 7.2139295 7.3157453 7.4014114 7.7277633
7.7703653 7.8516110 7.9038573 7.9871998 8.1687758
8.2387404 8.3206517 8.5289713 8.6246480 8.6856509
8.7597048 8.8716970 8.8846656 8.9968358 9.0389095
9.2017385 9.3243469 9.4049202 9.5819645 9.7062311
9.7684667 9.9961969 10.0485034 10.1647779 10.2632482
10.3551078 10.4824511 10.5236117 10.5881887 10.6905088
10.8210001 11.0311573 11.1148596 11.1977789 11.2501352
11.4180720 11.4692895 11.6340436 11.7673047 11.7838769
11.9651440 12.0010608 12.1044403 12.2221109 12.2729482
12.3888412 12.4487490 12.5825607 12.6690016 12.7990206
12.9752939 13.1283971 13.2039113 13.3289403 13.4197731
13.6248520 13.7204311 13.8575390 14.0060775 14.1540338
14.2792125 14.3373976 14.4189060 14.4878146 14.6616186
14.7467071 14.9423375 15.0836431 15.1938719 15.2944554
15.3874791 15.4600797 15.6672645 15.7700445 15.8526536
15.9912491 16.0525058 16.1046324 16.1794235 16.3374133
16.5707437 16.7224173 16.7658448 16.9080902 16.9814985
17.1321731 17.1406876 17.2203872 17.3818988 17.4350519
17.6360688 17.6915429 17.8794281 17.9481569 18.0936874
18.1994107 18.4932977 18.5590271 18.6043396 18.8294963
18.8782271 19.0127888 19.0502366 19.1605776 19.4033016
19.5008881 19.7478661 19.9056144 19.9300678 20.2586404
20.3307064 20.4120587 20.4509194 20.5966852 20.6852056
20.7403663 20.9309200 20.9978264 21.0777617 21.1656423
21.3380735 21.4807145 21.6019352 21.6466529 21.8280501
21.9665263 22.1496826 22.2889299 22.3478214 22.3751561
22.5822531 22.6463431 22.9627137 23.0007384 23.1308031
23.1888609 23.3241175 23.4729295 23.5496657 23.6366446
23.7009160 23.8578218 23.9435565 24.0992320 24.1179182
24.2567804 24.3031163 24.3681519 24.4683999 24.6281155
24.6677145 24.7989985 24.8467069 25.0256822 25.1262712
25.2898606 25.3810967 25.5099454 25.5443529 25.6719159
25.7012144 25.8046528 25.8973148 25.9530175 26.2306328
26.3652275 26.4133528 26.5122238 26.5512345 26.7028926
26.8193431 26.8630916 26.9658914 27.0918592 27.2068295
27.2859812 27.3938297 27.4435570 27.5932474 27.9175586
27.9597010 28.0274470 28.0993366 28.1697166 28.3121286
28.4235433 28.5700349 28.7367624 28.7836778 28.8566186
29.1086751 29.2502058 29.2783449 29.6040028 29.6543620
29.7325465 29.8296115 29.9315801 30.1100266 30.1683338
30.3384121 30.4167853 30.4472034 30.4591920 30.8482383
30.9339227 31.2171892 31.2356988 31.3733761 31.5123835
31.6009125 31.6255166 31.7035070 31.8761701 32.0058531
32.1520072 32.2567308 32.3821522 32.4768169 32.5441185
32.6644829 32.8442422 33.0636917 33.2838400 33.4048725
33.4574308 33.5120825 33.9957256 34.2551918 34.3693522
34.4750846 34.4849131 34.7183134 34.8709952 35.0274515
35.0643459 35.2383348 35.3192868 35.4487914 35.4730423
35.7139583 35.8032464 35.9830569 36.0800818 36.1814571
36.3718368 36.4346552 36.5850153 36.7950794 36.9141360
37.1849929 37.3433632 37.4700141 37.6579762 37.7942748
37.8842423 37.9243466 37.9676612 38.1432669 38.3491714
38.4828495 38.7575008 38.8922652 38.9581620 39.1852947
39.4280083 39.6993812 39.7296523 39.9161769 40.0224668
40.1942600 40.5512819 40.5950615 40.8070976 41.0067250
41.2337332 41.3889430 41.5529751 41.7617466 41.8531798
42.0156359 42.2496285 42.5266209 42.7702240 42.9177101
42.9865398 43.2960141 43.4319565 43.6166433 43.7047076
43.8408340 44.2115418 44.3628170 44.5554996 44.6358928
44.8180534 44.9092693 45.2290094 45.3297610 45.4598320
45.5828711 45.9124195 45.9890639 46.1181696 46.1501331
46.4665505 46.7066746 46.7589245 46.8699014 47.0080177
47.2995966 47.4967399 47.6952718 47.8047048 47.8676844
48.0134536 48.2828474 48.4316900 48.8756586 48.9771128
49.1754585 49.3542454 49.4993873 49.9961515 50.0677598
50.2077369 50.3645857 50.5423264 50.7336670 50.9877483
51.0557436 51.2678296 51.5212129 51.6523497 51.7689142
51.8999100 52.0142419 52.2558632 52.3990761 52.6885546
52.7753318 53.1253402 53.2438686 53.2929930 53.5628055
53.6256392 53.9304170 54.0621762 54.2956421 54.3932973
54.5430727 54.7802781 54.8411527 54.9994202 55.0277770
55.5686776 55.6137479 55.6740494 55.8364192 55.8608632
56.2706987 56.3264896 56.7733545 56.8939334 57.0570954
57.2780143 57.4113355 57.5668828 57.9849622 58.1782544
58.4057315 58.4736879 58.6734073 58.7319531 59.0841522
59.3955108 59.6981178 59.7346126 59.9868467 60.3638907
60.7163685 60.9257210 61.1200304 61.2534417 61.5790494
61.8833180 62.0322858 62.2638441 62.3833431 62.4501245
62.9810068 63.3092652 63.3866975 63.5726487 63.9317875
64.0486583 64.4317000 64.5665729 64.9660518 64.9901358
65.4024373 65.5997160 65.9158680 66.0162320 66.1309291
66.3918404 66.9814713 67.5849637 67.7185122 67.9343326
68.4767359 68.6171352 68.7362871 69.2174760 69.3625007
69.5906197 69.6122630 70.0573088 70.2996108 70.9373189
71.0495365 71.2325789 71.5967196 72.0768943 72.3641206
72.8126553 73.0560539 73.4472692 73.6854549 74.2220565
74.2901019 74.5168083 75.0220094 75.1940880 75.6407722
76.0835810 76.3895690 76.6737067 76.8225624 77.5720832
77.7214669 78.0183162 78.7989982 79.4951854 79.6986561
79.9590780 80.3709630 81.3704428 81.5495439 81.8734442
82.2101638 82.7967784 83.2009641 83.8883030 84.5697465
84.9388728 85.3923288 85.6683889 86.3005166 86.5192371
87.2160718 87.7046083 88.0998169 88.4653271 89.2006925
90.1113246 90.8576997 91.2496934 92.0263858 92.3291527
92.6364961 94.5424681 94.8377244 95.5823810 96.2606247
96.8783696 97.1688222 97.9186836 98.6691267 99.9970819
100.6947100 101.3636993 104.7734881 105.8979105 106.5156051
107.5179825 115.9003771
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034255 0.0034262 0.0034338 0.0034356 0.0034378
0.0034405 3.6673556 26.4511733 33.7991186 35.8607321
37.1361416 41.3817417 42.3303987 45.7447941 51.7704222
53.5829185 66.1246295 68.3819361 71.4684013 72.6618824
77.4568301 79.1413160 83.2053852 85.9619557 89.7865744
92.9066227 94.3269247 96.4663773 99.2037534 100.3248892
103.5262600 104.5268687 106.8457927 110.4100006 114.7176521
116.9662033 119.3330169 122.7143873 124.1961125 129.4466420
132.2333439 134.3867066 141.1058211 144.3346534 144.8186341
146.6236087 149.0102403 153.3950145 154.8759669 155.6165872
157.6550066 161.4182508 164.8986371 167.3670571 170.3695359
173.8505617 174.6960047 178.7373836 181.1346038 183.6221410
186.8101995 191.4625141 192.2714930 196.4482813 198.2025678
204.4976320 206.4143868 209.2032624 210.5106682 212.7929682
214.7729666 217.2352408 221.0926242 222.1345910 223.8605396
225.7976936 227.0605707 230.5058537 235.0858790 238.8631411
240.8439345 243.0398015 244.7414544 248.0516761 248.5427180
250.7815005 252.0832089 254.2970601 256.0130275 257.1257492
258.0014798 261.6643171 265.7539900 269.0424535 271.3236603
271.9853148 274.6628990 275.5521532 279.0953804 281.4588802
282.5110684 283.4490256 284.7986767 285.5700316 287.8297139
289.4328891 291.6629242 293.7139457 295.4286115 301.8715501
302.7024932 304.2808835 305.2915784 306.8969365 310.3657343
311.6920238 313.2376463 317.1345859 318.9084086 320.0342538
321.3956655 323.4436510 323.6799694 325.7168127 326.4775325
329.4050273 331.5923411 333.0219329 336.1418293 338.3144864
339.3973758 343.3307338 344.2278246 346.2136822 347.8865966
349.4399811 351.5820563 352.2716449 353.3508300 355.0540482
357.2144188 360.6665121 362.0322603 363.3801697 364.2286901
366.9371372 367.7591926 370.3911688 372.5064345 372.7686479
375.6247886 376.1881393 377.8049436 379.6368754 380.4255970
382.2175490 383.1405658 385.1942517 386.5151100 388.4934036
391.1594992 393.4604932 394.5904582 396.4542625 397.8028282
400.8308839 402.2343530 404.2391159 406.3998537 408.5407612
410.3433589 411.1785450 412.3456669 413.3298027 415.8016795
417.0064832 419.7633821 421.7435066 423.2817175 424.6804699
425.9700038 426.9737196 429.8251937 431.2327539 432.3607536
434.2466471 435.0775738 435.7834055 436.7941390 438.9215742
442.0447939 444.0632244 444.6394586 446.5216890 447.4899500
449.4708256 449.5825021 450.6265090 452.7348113 453.4265048
456.0328964 456.7495580 459.1685057 460.0501848 461.9115497
463.2590828 466.9844939 467.8136427 468.3843864 471.2101440
471.8194969 473.4980476 473.9641214 475.3347647 478.3360330
479.5373901 482.5644969 484.4880550 484.7855519 488.7653706
489.6339408 490.6125855 491.0793800 492.8263788 493.8842784
494.5423538 496.8089823 497.6023818 498.5486277 499.5868596
501.6177363 503.2915529 504.7096512 505.2317752 507.3442598
508.9510009 511.0684055 512.6723431 513.3491839 513.6630390
516.0347114 516.7664641 520.3635712 520.7942368 522.2646564
522.9196814 524.4425143 526.1128719 526.9721381 527.9444066
528.6616973 530.4087451 531.3609195 533.0855147 533.2921480
534.8251949 535.3357701 536.0515757 537.1530734 538.9033351
539.3364065 540.7697025 541.2896192 543.2356245 544.3262791
546.0953746 547.0795386 548.4664226 548.8361797 550.2048581
550.5187337 551.6254444 552.6149731 553.2089659 556.1598897
557.5849489 558.0936052 559.1371631 559.5483763 561.1441434
562.3663787 562.8248663 563.9007484 565.2163096 566.4143497
567.2376748 568.3575792 568.8732078 570.4225523 573.7649283
574.1978234 574.8930396 575.6298596 576.3502946 577.8053266
578.9411089 580.4310882 582.1222495 582.5972394 583.3349533
585.8770685 587.2996521 587.5820787 590.8408283 591.3431534
592.1221860 593.0879205 594.1007523 595.8690791 596.4457419
598.1246537 598.8967224 599.1961088 599.3140641 603.1293515
603.9664000 606.7254026 606.9052489 608.2413036 609.5872950
610.4429633 610.6805588 611.4330823 613.0958101 614.3416841
615.7427761 616.7447416 617.9425991 618.8451745 619.4860574
620.6305845 622.3359701 624.4115843 626.4868983 627.6249350
628.1184848 628.6312821 633.1512047 635.5628177 636.6209895
637.5994746 637.6903546 639.8447191 641.2501085 642.6870523
643.0254337 644.6188021 645.3588096 646.5408903 646.7620051
648.9545380 649.7652546 651.3948315 652.2724525 653.1881638
654.9043832 655.4696877 656.8208053 658.7037753 659.7685872
662.1846839 663.5933031 664.7176471 666.3827842 667.5876417
668.3817497 668.7354316 669.1172145 670.6628091 672.4705544
673.6415883 676.0411983 677.2155156 677.7889897 679.7619309
681.8639028 684.2064263 684.4672330 686.0720859 686.9849247
688.4577589 691.5085819 691.8817611 693.6863256 695.3810046
697.3031200 698.6142626 699.9972633 701.7535324 702.5213216
703.8834449 705.8407494 708.1507474 710.1760839 711.3994926
711.9697213 714.5279775 715.6488491 717.1688203 717.8924561
719.0095912 722.0430808 723.2773049 724.8463217 725.4999605
726.9788482 727.7182640 730.3042337 731.1171894 732.1653866
733.1555367 735.8009941 736.4148970 737.4478454 737.7033559
740.2279798 742.1381449 742.5531370 743.4337966 744.5283666
746.8338585 748.3886302 749.9510961 750.8109551 751.3053641
752.4484523 754.5564175 755.7185668 759.1744644 759.9619882
761.4992660 762.8822995 764.0032250 767.8273330 768.3770067
769.4503534 770.6512963 772.0099437 773.4698817 775.4042856
775.9211376 777.5310595 779.4501047 780.4414400 781.3215594
782.3094612 783.1706739 784.9875941 786.0625301 788.2308397
788.8796742 791.4912945 792.3737540 792.7392039 794.7434152
795.2094291 797.4659883 798.4395518 800.1617127 800.8809682
801.9828488 803.7248506 804.1712961 805.3308499 805.5384307
809.4878063 809.8160168 810.2549364 811.4356045 811.6131994
814.5850478 814.9887678 818.2152284 819.0836561 820.2573106
821.8437506 822.7996627 823.9135340 826.8999573 828.2770413
829.8947440 830.3774044 831.7942903 832.2091794 834.7007127
836.8971544 839.0263485 839.2827672 841.0528698 843.6919249
846.1515888 847.6091164 848.9596730 849.8857122 852.1416063
854.2442731 855.2718392 856.8666606 857.6885309 858.1474857
861.7872800 864.0301885 864.5584161 865.8256217 868.2678171
869.0610754 871.6559026 872.5677306 875.2628940 875.4251162
878.1976020 879.5210939 881.6379335 882.3088727 883.0750049
884.8153208 888.7356913 892.7303975 893.6119837 895.0348318
898.6008094 899.5215481 900.3022074 903.4479977 904.3939558
905.8799179 906.0207759 908.9123519 910.4827888 914.6030923
915.3262238 916.5045262 918.8441240 921.9201622 923.7552606
926.6136954 928.1611484 930.6429822 932.1507748 935.5387314
935.9674750 937.3945038 940.5667598 941.6448348 944.4375744
947.1979575 949.1007358 950.8642292 951.7867943 956.4185869
957.3390513 959.1655386 963.9524875 968.2013715 969.4396521
971.0222224 973.5199736 979.5545358 980.6319719 982.5774895
984.5959318 988.1025038 990.5113578 994.5943432 998.6258289
1000.8028351 1003.4707298 1005.0914531 1008.7928092 1010.0703455
1014.1297926 1016.9661250 1019.2548419 1021.3670053 1025.6032617
1030.8250580 1035.0853189 1037.3157863 1041.7211057 1043.4333303
1045.1685673 1055.8658609 1057.5133111 1061.6569388 1065.4169902
1068.8301375 1070.4311767 1074.5535506 1078.6633492 1085.8977756
1089.6790667 1093.2928456 1111.5294697 1117.4779846 1120.7323286
1125.9933708 1169.0624322
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2402181453523311797.eigenfacs
Openam> file on opening on unit 10:
2402181453523311797.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2402181453523311797.atom
Openam> file on opening on unit 11:
2402181453523311797.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 = 188
First residue number = 96
Last residue number = 290
Number of atoms found = 199
Mean number per residue = 1.1
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9508E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9551E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9988E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0009E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0022E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0038E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 1.1406E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 5.9333E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 9.6877E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1091
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1170
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1452
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1520
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1775
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2273
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2435
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3708
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3965
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4331
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4477
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5088
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5311
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5871
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6266
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6836
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7320
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7545
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7892
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8346
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8535
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9089
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9265
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9681
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 1.034
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 1.116
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 1.160
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 1.208
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 1.277
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 1.308
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 1.421
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 1.483
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 1.532
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 1.688
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 1.767
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 1.779
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 1.823
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 1.883
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 1.995
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 2.034
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 2.054
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 2.108
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 2.210
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 2.306
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 2.375
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 2.461
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 2.563
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 2.588
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 2.709
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 2.782
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 2.859
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 2.959
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 3.109
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 3.135
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 3.273
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 3.331
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 3.546
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 3.613
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 3.711
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 3.758
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 3.840
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 3.912
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 4.002
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 4.145
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 4.184
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 4.250
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 4.324
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 4.372
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 4.506
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 4.687
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 4.838
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 4.919
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 5.009
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 5.080
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 5.218
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 5.239
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 5.333
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 5.389
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 5.484
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 5.558
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 5.607
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 5.645
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 5.806
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 5.989
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 6.138
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 6.243
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 6.273
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 6.397
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 6.439
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 6.606
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 6.718
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 6.768
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 6.813
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 6.878
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 6.916
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 7.026
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 7.104
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 597 coordinates in file.
Openam> file on opening on unit 12:
bfactors.pred
Bfactors> Best zero-eigenvalue found : 0.000000
Bfactors> 6 eigenvalues less than : 0.000000
Bfactors> Lowest non-zero eigenvalue : 0.001141
Bfactors> 100 eigenvectors will be considered.
Bfactors> Rotation-Tranlation modes are skipped.
Bfactors> Mass-weighted B-factors are computed.
(CHARMM units assumed for eigenvalues)
Bfactors> Correlation= 0.067 for 199 C-alpha atoms.
Bfactors> = 78.198 +/- 517.60
Bfactors> = 21.485 +/- 10.57
Bfactors> Shiftng-fct= -56.713
Bfactors> Scaling-fct= 0.020
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2402181453523311797 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=-80
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=-60
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=-40
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=-20
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=0
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=20
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=40
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=60
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=80
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=100
2402181453523311797.eigenfacs
2402181453523311797.atom
making animated gifs
11 models are in 2402181453523311797.7.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 2402181453523311797.7.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 2402181453523311797.7.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 2402181453523311797 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=-80
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=-60
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=-40
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=-20
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=0
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=20
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=40
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=60
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=80
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=100
2402181453523311797.eigenfacs
2402181453523311797.atom
making animated gifs
11 models are in 2402181453523311797.8.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 2402181453523311797.8.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 2402181453523311797.8.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 2402181453523311797 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=-80
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=-60
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=-40
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=-20
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=0
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=20
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=40
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=60
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=80
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=100
2402181453523311797.eigenfacs
2402181453523311797.atom
making animated gifs
11 models are in 2402181453523311797.9.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 2402181453523311797.9.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 2402181453523311797.9.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 2402181453523311797 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=-80
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=-60
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=-40
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=-20
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=0
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=20
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=40
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=60
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=80
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=100
2402181453523311797.eigenfacs
2402181453523311797.atom
making animated gifs
11 models are in 2402181453523311797.10.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 2402181453523311797.10.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 2402181453523311797.10.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 2402181453523311797 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=-80
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=-60
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=-40
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=-20
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=0
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=20
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=40
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=60
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=80
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=100
2402181453523311797.eigenfacs
2402181453523311797.atom
making animated gifs
11 models are in 2402181453523311797.11.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 2402181453523311797.11.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 2402181453523311797.11.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 2402181453523311797 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=-80
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=-60
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=-40
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=-20
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=0
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=20
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=40
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=60
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=80
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=100
2402181453523311797.eigenfacs
2402181453523311797.atom
making animated gifs
11 models are in 2402181453523311797.12.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 2402181453523311797.12.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 2402181453523311797.12.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 2402181453523311797 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=-80
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=-60
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=-40
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=-20
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=0
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=20
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=40
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=60
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=80
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=100
2402181453523311797.eigenfacs
2402181453523311797.atom
making animated gifs
11 models are in 2402181453523311797.13.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 2402181453523311797.13.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 2402181453523311797.13.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 2402181453523311797 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=-80
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=-60
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=-40
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=-20
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=0
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=20
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=40
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=60
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=80
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=100
2402181453523311797.eigenfacs
2402181453523311797.atom
making animated gifs
11 models are in 2402181453523311797.14.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 2402181453523311797.14.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 2402181453523311797.14.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 2402181453523311797 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=-80
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=-60
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=-40
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=-20
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=0
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=20
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=40
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=60
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=80
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=100
2402181453523311797.eigenfacs
2402181453523311797.atom
making animated gifs
11 models are in 2402181453523311797.15.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 2402181453523311797.15.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 2402181453523311797.15.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 2402181453523311797 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=-80
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=-60
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=-40
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=-20
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=0
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=20
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=40
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=60
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=80
2402181453523311797.eigenfacs
2402181453523311797.atom
calculating perturbed structure for DQ=100
2402181453523311797.eigenfacs
2402181453523311797.atom
making animated gifs
11 models are in 2402181453523311797.16.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 2402181453523311797.16.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 2402181453523311797.16.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
2402181453523311797.10.pdb
2402181453523311797.11.pdb
2402181453523311797.12.pdb
2402181453523311797.13.pdb
2402181453523311797.14.pdb
2402181453523311797.15.pdb
2402181453523311797.16.pdb
2402181453523311797.7.pdb
2402181453523311797.8.pdb
2402181453523311797.9.pdb
STDERR:
real 0m3.132s
user 0m3.120s
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: 2402181453523311797.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 25th, 2023.
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