*** ***
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 = 2404260006412770749.atom
Pdbmat> Distance cutoff = 10.00
Force constant = 10.00
Origin of mass values = CONS
Pdbmat> Levelshift = 1.0E-09
PRINTing level = 2
Pdbmat> Coordinate file 2404260006412770749.atom to be opened.
Openam> File opened: 2404260006412770749.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 = 205
First residue number = 88
Last residue number = 292
Number of atoms found = 213
Mean number per residue = 1.0
Pdbmat> Coordinate statistics:
= 0.654113 +/- 8.914679 From: -22.499000 To: 20.356000
= 0.490765 +/- 8.921229 From: -22.297000 To: 20.234000
= -0.374878 +/- 10.700200 From: -18.370000 To: 22.385000
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 9.0953 % Filled.
Pdbmat> 18598 non-zero elements.
Pdbmat> 1925 atom-atom interactions.
Pdbmat> Number per atom= 18.08 +/- 6.09
Maximum number = 33
Minimum number = 3
Pdbmat> Matrix trace = 38500.0
Pdbmat> Larger element = 151.010
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 213 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) = 639
Diagstd> Number of non-zero elements 18598
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 38500.0000006
%Diagstd-Wn: Nb on non-zero elements there: 639
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 639 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 38500.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0825115 0.1896488 0.2807404 0.5505458
0.6139313 0.7284158 0.9003466 1.0576049 1.2482375
1.4563000 1.6395966 1.7264945 1.9100278 2.1348211
2.4798801 2.6995823 2.7273728 3.0442994 3.3716315
3.6545869 3.7822128 3.8272337 3.9378706 4.0602938
4.3851532 4.4366415 4.6231272 4.8533391 5.0772003
5.2888482 5.3622644 5.7159288 5.9670064 6.2301700
6.3250161 6.6731434 6.7701945 6.8953343 7.0420665
7.1791469 7.6766280 7.7910106 8.0818549 8.1867305
8.4709198 8.7753376 8.9056844 9.0834433 9.1810831
9.4644075 9.7076152 9.7756886 9.8122235 10.1913162
10.3782468 10.6085962 10.8790806 11.0791703 11.2119886
11.3704239 11.5530722 11.8896667 12.1519572 12.3335057
12.6773567 12.9242801 13.1107445 13.3740715 13.7175103
13.8412741 14.0428656 14.3297677 14.4582985 14.8116618
14.9684030 15.1126117 15.3259359 15.6531605 15.9404289
15.9970304 16.2034501 16.3970665 16.5527682 16.7030975
16.9559035 17.2372845 17.3222012 17.7038040 17.7974669
17.9506951 18.0299509 18.1584182 18.3544894 18.6854045
18.8634352 19.2488825 19.3504195 19.4807775 19.9190464
19.9931168 20.1533428 20.3831557 20.4751440 21.0124505
21.0905141 21.1836323 21.3681605 21.4151167 21.6492250
21.7726703 22.0420475 22.2401600 22.3402819 22.7242404
22.7851448 23.0312590 23.2832388 23.5024860 23.5676554
23.7290082 24.0872786 24.3375225 24.5866567 24.6313353
24.7554295 24.9819534 25.0576959 25.2887963 25.4590745
25.7291365 26.0058447 26.0959234 26.2627773 26.5941359
26.6787531 26.7529679 27.0536113 27.2457620 27.4020953
27.4816721 27.6776553 28.0504968 28.1754390 28.3462759
28.6109442 28.9089369 29.0085109 29.1403297 29.2665044
29.4057386 29.4852755 29.6013139 29.7592046 30.0361852
30.1859235 30.2162011 30.4167547 30.5245612 30.9549194
30.9987210 31.1174051 31.1686931 31.3310200 31.5914965
31.7937303 31.9421183 32.0630235 32.1763764 32.3631257
32.4269916 32.6632305 32.8719205 33.0068539 33.2479677
33.3375640 33.6205324 33.6870151 33.8038131 33.9828949
34.1748992 34.2614861 34.3558277 34.4699558 34.6512700
34.8651593 34.9600188 35.2664967 35.4142270 35.4968544
35.6309135 35.7804020 36.1397138 36.3820596 36.4546357
36.6080446 36.6343199 37.0091346 37.0981561 37.2765510
37.3885375 37.6190257 37.7302508 37.8785079 38.0703850
38.1601578 38.3158184 38.4099322 38.5631124 38.6835759
38.8640965 39.1880583 39.2492647 39.3635898 39.5985344
39.8322126 40.0193775 40.1087925 40.2627991 40.4612356
40.5942836 40.6804950 40.7758913 41.0415326 41.2075143
41.3507036 41.4224167 41.5321896 41.7437848 41.9082223
41.9958402 42.1611474 42.2476075 42.3703037 42.4414531
42.5968000 42.7980441 43.0121845 43.0855063 43.2459647
43.3649647 43.4669963 43.5645369 43.6493160 43.7308054
43.8442088 44.1051100 44.1355530 44.2413684 44.5837318
44.6320617 44.7248515 44.9588034 45.1484779 45.4417615
45.4922876 45.8335523 45.9898534 46.0396739 46.1371348
46.2192212 46.3730818 46.4678376 46.7038158 46.8233414
46.9668788 47.2989728 47.4270297 47.5367250 47.6205220
47.6436804 48.0886290 48.1617173 48.3133882 48.6054977
48.7799798 48.8500487 48.9569852 49.2243871 49.4507297
49.6059359 49.7023289 49.8521355 50.0592669 50.1931694
50.5028037 50.6093345 50.8143648 50.9851553 51.1240546
51.3009625 51.3179083 51.4378812 51.5467819 51.8212248
51.9229611 52.1130576 52.3905504 52.4972390 52.6157897
52.7931380 52.8480896 52.9268739 53.1793503 53.3230672
53.4842087 53.7625631 54.0185144 54.2163808 54.3354311
54.4890674 54.5681279 54.7101533 54.9054886 55.1883257
55.2507632 55.4509074 55.6566304 55.7758413 55.9217456
56.0174678 56.2800722 56.4391728 56.5726889 56.7251335
56.8470897 57.1979391 57.2338879 57.4607955 57.5849298
57.6975360 57.9388873 58.0877789 58.2244288 58.2753559
58.4455874 58.7248239 58.9814529 59.2866788 59.3006827
59.4491492 59.6071794 59.7302010 59.8462834 60.0495858
60.1940636 60.3044642 60.4771457 60.6238703 60.9739406
61.0243457 61.2219567 61.4625238 61.5326380 61.6969930
62.0223901 62.3114074 62.4011123 62.5862020 62.7782380
63.0111554 63.2888493 63.4445914 63.7797760 63.8760202
64.1540370 64.2831046 64.4516505 64.5826845 64.8664407
64.9207121 65.1729022 65.2362915 65.3793673 65.6509718
66.0408168 66.1215192 66.1813507 66.3578365 66.7571043
66.7634308 67.0241898 67.0891460 67.3768024 67.5665906
67.6159307 68.0034630 68.0852672 68.2047829 68.4616128
68.5950464 68.8723013 69.0200663 69.3996858 69.6386711
69.8846177 70.0313845 70.0678632 70.4124933 70.5131895
70.6183307 70.8064805 70.8529150 71.3144262 71.4547659
71.5369777 71.8998603 72.0667955 72.3607306 72.5213784
72.6628129 72.9564596 73.1326785 73.3270833 73.6259759
73.7043882 74.0248022 74.2103807 74.3454515 74.3980312
74.7805728 74.9736610 75.0464905 75.4274320 75.5984501
75.7232878 76.1486395 76.2491212 76.3251945 76.6207205
76.8299787 76.9057131 77.1381759 77.5085945 77.5401667
77.9100217 78.0244915 78.3257452 78.5094051 78.7647768
79.0032594 79.1331670 79.4868032 79.7684039 79.8916869
79.9741106 80.1403246 80.5500724 80.6886418 81.0070065
81.3095713 81.5720127 81.6415992 81.9157457 82.1189524
82.3197546 82.4464919 82.5824597 82.7525251 82.9407575
83.1474189 83.5102201 83.7052977 83.9037792 84.0149029
84.2519064 84.3571737 84.7108281 84.7983763 84.9251869
85.2347414 85.5770331 85.8924482 86.2416797 86.4164836
86.5348842 86.8168652 86.9688312 87.2837034 87.4296680
87.7172802 87.8954501 88.2332702 88.6244775 88.7676110
89.0619179 89.3961513 89.4292989 89.5535491 89.8692856
90.1172368 90.2411992 90.5588326 90.7974978 91.1871592
91.2422194 91.6357373 91.8400193 92.3248110 92.7885946
92.8676984 93.1326428 93.3405432 93.5432547 93.6575730
93.8778627 94.3119098 94.5722849 94.7226811 94.8648253
95.2576195 95.4473654 95.6914552 95.8916105 96.2048635
96.4192416 96.9222602 96.9921847 97.4200261 97.5215114
97.7422197 97.7961595 98.1565897 98.3291821 98.8200781
98.9741328 99.1730386 99.3684298 99.4964358 100.2556342
100.4589912 100.6163487 101.0682005 101.2012626 101.7215371
101.9006485 102.2957787 102.5684220 103.0276200 103.4352720
103.5305253 103.7464135 104.3021178 104.6791750 104.8449229
105.3472913 105.7323680 106.4562057 106.6311240 106.6561502
107.5650340 107.7394043 107.8201979 108.2011646 108.4051716
108.9187233 109.2793032 109.9614036 110.4910647 111.0471184
111.4027777 111.6287779 112.2083529 112.3935772 112.9453507
113.1494060 113.4128691 113.9948095 114.1980863 114.9956776
115.4043628 115.5506806 115.8288279 116.2720665 116.5198670
117.1212924 117.3841857 118.2946752 118.6255829 119.1750615
119.8201905 119.9464747 120.4757996 120.6704534 121.9122441
122.3266148 122.8251580 123.5195003 123.6995762 124.4949284
125.1539515 125.8400703 126.4869890 127.5007474 128.9075648
129.1445104 130.1829216 130.2347614 130.8607560 131.9953939
132.7015162 133.2945937 133.6651445 134.3581986 134.9003655
135.5422703 136.2250473 136.4619786 137.3160672 138.6280773
138.9564417 139.6344943 139.8712306 141.0296989 141.4410735
142.8116425 143.3558849 144.0217703 145.3255922 146.5520129
147.5797279 148.2210248 149.6693919 150.5098749 153.1089333
155.8593894 156.9666782 158.4193497 160.8188765 165.0325280
171.9737637 173.9468501 178.5885168 217.4604045
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034211 0.0034267 0.0034311 0.0034398 0.0034459
0.0034487 31.1926613 47.2901055 57.5370715 80.5734567
85.0854274 92.6797751 103.0386468 111.6752676 121.3232119
131.0450741 139.0476906 142.6848575 150.0773384 158.6631307
171.0057141 178.4200113 179.3360220 189.4693478 199.3954916
207.5938244 211.1875249 212.4407236 215.4894431 218.8134483
227.3985365 228.7296413 233.4872672 239.2299778 244.6850463
249.7329419 251.4602785 259.6203232 265.2610794 271.0473885
273.1027659 280.5178552 282.5503515 285.1497168 288.1677267
290.9589369 300.8711367 303.1043566 308.7100754 310.7066343
316.0534716 321.6823232 324.0626142 327.2808060 329.0351085
334.0734768 338.3386064 339.5228129 340.1566741 346.6653361
349.8301831 353.6911872 358.1717905 361.4505575 363.6106579
366.1707157 369.0999815 374.4381752 378.5457681 381.3629956
386.6425399 390.3897992 393.1958790 397.1248835 402.1915365
404.0018142 406.9332245 411.0691217 412.9085482 417.9238674
420.1293414 422.1482970 425.1173041 429.6316811 433.5560799
434.3251371 437.1183397 439.7221667 441.8049695 443.8066331
447.1525882 450.8475406 451.9566897 456.9078051 458.1148575
460.0827124 461.0972720 462.7370648 465.2286309 469.4037259
471.6346155 476.4288383 477.6837551 479.2900607 484.6514898
485.5517588 487.4934963 490.2651139 491.3701417 497.7756314
498.6994200 499.7991292 501.9712551 502.5224902 505.2617907
506.7002609 509.8251400 512.1111529 513.2625820 517.6544687
518.3477011 521.1396533 523.9827334 526.4440020 527.1733771
528.9749105 532.9532909 535.7145759 538.4495510 538.9385606
540.2944582 542.7608040 543.5829761 546.0838839 547.9192842
550.8176980 553.7717063 554.7299502 556.5005602 560.0002518
560.8904486 561.6700471 564.8171861 566.8194694 568.4433191
569.2681115 571.2943488 575.1293867 576.4088308 578.1536681
580.8464986 583.8635199 584.8681855 586.1955410 587.4632549
588.8590122 589.6548508 590.8139956 592.3875736 595.1379803
596.6195964 596.9187372 598.8964217 599.9568202 604.1713385
604.5986432 605.7549438 606.2539433 607.8305823 610.3520110
612.3024869 613.7296957 614.8901231 615.9760793 617.7610326
618.3702817 620.6186867 622.5981400 623.8746590 626.1492028
626.9923056 629.6476304 630.2698694 631.3615445 633.0317119
634.8175159 635.6212072 636.4957212 637.5520459 639.2266293
641.1964467 642.0681231 644.8763357 646.2256075 646.9790455
648.1995998 649.5579286 652.8112573 654.9964116 655.6493904
657.0274978 657.2632456 660.6169996 661.4110438 662.9994093
663.9945566 666.0380676 667.0219506 668.3311630 670.0217710
670.8112871 672.1780605 673.0030778 674.3437232 675.3961598
676.9702258 679.7859010 680.3165606 681.3066512 683.3368423
685.3501246 686.9584100 687.7254148 689.0444873 690.7403890
691.8751317 692.6094210 693.4210344 695.6760714 697.0813913
698.2914625 698.8967113 699.8221666 701.6026030 702.9831246
703.7176075 705.1012608 705.8238679 706.8480576 707.4412881
708.7348158 710.4070150 712.1820613 712.7888226 714.1148677
715.0967085 715.9374747 716.7403115 717.4373817 718.1067655
719.0372650 721.1734589 721.4223060 722.2865972 725.0759309
725.4688248 726.2225565 728.1194835 729.6537806 732.0198523
732.4267006 735.1687526 736.4212180 736.8199901 737.5994610
738.2553311 739.4831109 740.2382320 742.1154320 743.0644455
744.2025094 746.8289337 747.8392296 748.7035792 749.3631898
749.5453796 753.0372821 753.6093230 754.7950233 757.0733830
758.4310216 758.9755418 759.8058155 761.8780103 763.6276273
764.8250508 765.5677847 766.7206562 768.3118348 769.3387194
771.7080397 772.5215329 774.0847843 775.3845683 776.4400434
777.7822663 777.9107150 778.8194985 779.6434935 781.7162085
782.4831714 783.9142478 785.9985787 786.7984793 787.6863634
789.0127453 789.4232747 790.0114791 791.8935285 792.9628507
794.1601075 796.2239982 798.1170676 799.5774582 800.4548472
801.5857123 802.1670294 803.2102578 804.6428573 806.7126914
807.1689013 808.6295517 810.1281720 810.9953148 812.0553652
812.7500723 814.6528911 815.8035676 816.7679558 817.8676745
818.7463903 821.2690768 821.5271192 823.1540081 824.0426711
824.8479772 826.5713643 827.6327461 828.6056655 828.9679648
830.1778546 832.1586692 833.9749644 836.1300679 836.2288122
837.2749581 838.3870590 839.2517751 840.0668990 841.4925753
842.5042718 843.2765269 844.4830229 845.5068097 847.9444696
848.2948809 849.6672583 851.3349735 851.8204213 852.9572777
855.2036176 857.1938780 857.8106739 859.0819197 860.3988901
861.9935213 863.8908617 864.9531458 867.2349567 867.8890421
869.7757105 870.6501954 871.7908409 872.6765921 874.5916256
874.9574181 876.6551947 877.0814228 878.0427010 879.8646304
882.4731454 883.0121758 883.4115916 884.5887043 887.2459496
887.2879900 889.0190489 889.4497388 891.3545346 892.6090437
892.9348953 895.4901123 896.0285615 896.8146534 898.5015759
899.3767524 901.1925185 902.1587514 904.6363456 906.1926132
907.7914271 908.7441672 908.9808148 911.2134921 911.8648180
912.5443990 913.7592456 914.0588153 917.0309138 917.9327830
918.4606925 920.7872640 921.8555736 923.7336229 924.7584433
925.6597574 927.5282706 928.6477698 929.8812388 931.7744816
932.2705240 934.2947490 935.4651440 936.3160802 936.6471191
939.0520694 940.2636338 940.7202092 943.1047696 944.1733246
944.9525719 947.6028421 948.2278388 948.7007417 950.5356200
951.8327348 952.3017490 953.7399237 956.0271175 956.2218110
958.4996156 959.2034978 961.0534630 962.1795528 963.7431486
965.2010479 965.9942778 968.1503253 969.8637592 970.6129380
971.1134959 972.1221278 974.6041306 975.4420709 977.3645265
979.1880752 980.7670556 981.1852971 982.8312909 984.0495804
985.2519744 986.0101165 986.8228276 987.8384072 988.9612586
990.1925774 992.3505038 993.5088793 994.6860834 995.3445555
996.7474849 997.3699763 999.4584495 999.9747836 1000.7222038
1002.5443741 1004.5554011 1006.4049659 1008.4488695 1009.4703686
1010.1616773 1011.8061861 1012.6913420 1014.5229194 1015.3708589
1017.0395900 1018.0719630 1020.0265315 1022.2853192 1023.1105105
1024.8051563 1026.7263104 1026.9166452 1027.6297802 1029.4397291
1030.8588736 1031.5676380 1033.3815133 1034.7423409 1036.9602844
1037.2733037 1039.5077210 1040.6657545 1043.4087967 1046.0262390
1046.4720213 1047.9637103 1049.1327448 1050.2713494 1050.9129170
1052.1481045 1054.5776184 1056.0323469 1056.8717061 1057.6643984
1059.8518018 1060.9068484 1062.2625230 1063.3728960 1065.1083616
1066.2944182 1069.0722257 1069.4577969 1071.8139397 1072.3720646
1073.5848617 1073.8810537 1075.8581417 1076.8035871 1079.4881435
1080.3292450 1081.4142552 1082.4790351 1083.1760329 1087.3007177
1088.4028910 1089.2549864 1091.6980807 1092.4164862 1095.2209368
1096.1847459 1098.3079740 1099.7706298 1102.2297123 1104.4081700
1104.9165765 1106.0679962 1109.0262954 1111.0290791 1111.9083271
1114.5690190 1116.6042069 1120.4197914 1121.3398952 1121.4714761
1126.2397194 1127.1522059 1127.5747513 1129.5650542 1130.6294172
1133.3043387 1135.1787135 1138.7159862 1141.4551702 1144.3237903
1146.1548332 1147.3168327 1150.2914027 1151.2404148 1154.0628457
1155.1048821 1156.4489039 1159.4120744 1160.4453520 1164.4907380
1166.5581551 1167.2974429 1168.7015259 1170.9355078 1172.1825999
1175.2038575 1176.5220639 1181.0760918 1182.7268606 1185.4629156
1188.6672114 1189.2934430 1191.9147357 1192.8772403 1198.9993375
1201.0352639 1203.4801903 1206.8770902 1207.7565076 1211.6330473
1214.8357489 1218.1611827 1221.2883306 1226.1727084 1232.9188214
1234.0514178 1239.0027984 1239.2494638 1242.2242204 1247.5979957
1250.9306187 1253.7228693 1255.4642958 1258.7148807 1261.2519288
1264.2491144 1267.4293617 1268.5310801 1272.4946310 1278.5593139
1280.0726618 1283.1919859 1284.2792869 1289.5867717 1291.4662231
1297.7083147 1300.1786887 1303.1948429 1309.0804317 1314.5925725
1319.1938955 1322.0570187 1328.5006688 1332.2256089 1343.6790492
1355.6942857 1360.5014658 1366.7824492 1377.0946533 1395.0187871
1424.0537385 1432.1996547 1451.1825432 1601.3467254
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404260006412770749.eigenfacs
Openam> file on opening on unit 10:
2404260006412770749.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404260006412770749.atom
Openam> file on opening on unit 11:
2404260006412770749.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 = 205
First residue number = 88
Last residue number = 292
Number of atoms found = 213
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: 9.9250E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9580E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9836E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0034E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0070E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0086E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 8.2511E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1896
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2807
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5505
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6139
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7284
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9003
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 1.058
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 1.248
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 1.456
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 1.640
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 1.726
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 1.910
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 2.135
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 2.480
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 2.700
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 2.727
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 3.044
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 3.372
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 3.655
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 3.782
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 3.827
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 3.938
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 4.060
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 4.385
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 4.437
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 4.623
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 4.853
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 5.077
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 5.289
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 5.362
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 5.716
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 5.967
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 6.230
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 6.325
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 6.673
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 6.770
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 6.895
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 7.042
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 7.179
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 7.677
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 7.791
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 8.082
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 8.187
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 8.471
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 8.775
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 8.906
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 9.083
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 9.181
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 9.464
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 9.708
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 9.776
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 9.812
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 10.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 10.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 10.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 10.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 11.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 11.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 11.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 11.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 11.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 12.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 12.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 12.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 12.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 13.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 13.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 13.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 13.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 14.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 14.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 14.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 14.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 14.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 15.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 15.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 15.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 15.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 16.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 16.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 16.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 16.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 16.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 16.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 17.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 17.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 17.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 17.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 17.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 18.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 18.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 18.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 18.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 18.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 19.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 19.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 19.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 19.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 19.99
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 639 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 : 0.082511
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= 0.372 for 213 C-alpha atoms.
Bfactors> = 3.069 +/- 14.87
Bfactors> = 23.540 +/- 5.79
Bfactors> Shiftng-fct= 20.472
Bfactors> Scaling-fct= 0.389
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404260006412770749 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=-80
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=-60
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=-40
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=-20
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=0
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=20
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=40
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=60
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=80
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=100
2404260006412770749.eigenfacs
2404260006412770749.atom
making animated gifs
11 models are in 2404260006412770749.7.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 2404260006412770749.7.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 2404260006412770749.7.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 2404260006412770749 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=-80
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=-60
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=-40
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=-20
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=0
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=20
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=40
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=60
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=80
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=100
2404260006412770749.eigenfacs
2404260006412770749.atom
making animated gifs
11 models are in 2404260006412770749.8.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 2404260006412770749.8.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 2404260006412770749.8.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 2404260006412770749 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=-80
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=-60
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=-40
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=-20
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=0
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=20
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=40
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=60
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=80
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=100
2404260006412770749.eigenfacs
2404260006412770749.atom
making animated gifs
11 models are in 2404260006412770749.9.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 2404260006412770749.9.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 2404260006412770749.9.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 2404260006412770749 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=-80
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=-60
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=-40
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=-20
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=0
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=20
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=40
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=60
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=80
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=100
2404260006412770749.eigenfacs
2404260006412770749.atom
making animated gifs
11 models are in 2404260006412770749.10.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 2404260006412770749.10.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 2404260006412770749.10.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 2404260006412770749 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=-80
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=-60
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=-40
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=-20
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=0
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=20
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=40
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=60
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=80
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=100
2404260006412770749.eigenfacs
2404260006412770749.atom
making animated gifs
11 models are in 2404260006412770749.11.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 2404260006412770749.11.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 2404260006412770749.11.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 2404260006412770749 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=-80
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=-60
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=-40
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=-20
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=0
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=20
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=40
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=60
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=80
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=100
2404260006412770749.eigenfacs
2404260006412770749.atom
making animated gifs
11 models are in 2404260006412770749.12.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 2404260006412770749.12.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 2404260006412770749.12.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 2404260006412770749 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=-80
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=-60
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=-40
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=-20
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=0
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=20
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=40
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=60
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=80
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=100
2404260006412770749.eigenfacs
2404260006412770749.atom
making animated gifs
11 models are in 2404260006412770749.13.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 2404260006412770749.13.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 2404260006412770749.13.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 2404260006412770749 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=-80
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=-60
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=-40
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=-20
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=0
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=20
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=40
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=60
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=80
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=100
2404260006412770749.eigenfacs
2404260006412770749.atom
making animated gifs
11 models are in 2404260006412770749.14.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 2404260006412770749.14.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 2404260006412770749.14.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 2404260006412770749 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=-80
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=-60
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=-40
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=-20
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=0
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=20
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=40
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=60
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=80
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=100
2404260006412770749.eigenfacs
2404260006412770749.atom
making animated gifs
11 models are in 2404260006412770749.15.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 2404260006412770749.15.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 2404260006412770749.15.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 2404260006412770749 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=-80
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=-60
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=-40
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=-20
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=0
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=20
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=40
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=60
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=80
2404260006412770749.eigenfacs
2404260006412770749.atom
calculating perturbed structure for DQ=100
2404260006412770749.eigenfacs
2404260006412770749.atom
making animated gifs
11 models are in 2404260006412770749.16.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 2404260006412770749.16.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 2404260006412770749.16.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
2404260006412770749.10.pdb
2404260006412770749.11.pdb
2404260006412770749.12.pdb
2404260006412770749.13.pdb
2404260006412770749.14.pdb
2404260006412770749.15.pdb
2404260006412770749.16.pdb
2404260006412770749.7.pdb
2404260006412770749.8.pdb
2404260006412770749.9.pdb
STDERR:
real 0m3.838s
user 0m3.826s
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: 2404260006412770749.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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