*** ***
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 = 240504004523197781.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 240504004523197781.atom to be opened.
Openam> File opened: 240504004523197781.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 = 196
First residue number = 96
Last residue number = 1291
Number of atoms found = 200
Mean number per residue = 1.0
Pdbmat> Coordinate statistics:
= 97.040845 +/- 7.500150 From: 80.354000 To: 115.922000
= 82.511680 +/- 9.461160 From: 62.410000 To: 100.050000
= -30.254530 +/- 10.685520 From: -51.687000 To: -9.874000
Pdbmat> Masses are all set to one.
%Pdbmat-W> residue:'ZN ' is not a well known amino-acid.
%Pdbmat-W> 1 residue(s) not known.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijf
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 9.5358 % Filled.
Pdbmat> 17193 non-zero elements.
Pdbmat> 1777 atom-atom interactions.
Pdbmat> Number per atom= 17.77 +/- 5.37
Maximum number = 30
Minimum number = 6
Pdbmat> Matrix trace = 35540.0
Pdbmat> Larger element = 117.250
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 200 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) = 600
Diagstd> Number of non-zero elements 17193
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 35540.0000006
%Diagstd-Wn: Nb on non-zero elements there: 600
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 600 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 35540.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.5532099 0.6180720 0.8670243 0.9481299
1.0778275 1.2934249 1.5535794 1.5983992 1.8621490
2.0818833 2.3346189 2.5726167 2.6919090 3.0495814
3.1353771 3.3747843 3.6910745 3.9250678 4.1149956
4.3007542 4.4877067 4.6732715 4.8972462 5.1815758
5.5429513 5.7759587 6.2701633 6.3727165 6.6499653
6.7226811 6.9476011 7.1990555 7.3970022 7.5001732
7.7759378 7.9060909 8.2319211 8.3648105 8.5473070
8.8767578 9.0364960 9.3489573 9.5141559 9.8622939
10.0643547 10.5149645 10.7720124 10.9514267 11.0338370
11.1527666 11.2614887 11.5200735 11.7140204 11.8915160
12.0050683 12.3757338 12.5241969 12.9669995 13.1997556
13.5260306 13.5390258 13.7226368 14.0704034 14.4239701
14.5918807 14.8891092 15.0561519 15.0920148 15.7600019
15.9165039 16.0923011 16.4275536 16.5445105 16.7156558
16.8708694 16.9432859 17.2433581 17.3856714 17.4616422
17.9793685 18.1317483 18.2397918 18.5041844 18.6391713
18.9853882 19.2314887 19.3602156 19.4762740 19.5981108
20.1049012 20.3757312 20.5481342 20.6640908 20.7977275
21.2370337 21.4117021 21.6234184 21.6913691 21.7625365
21.9051252 22.0773956 22.3133866 22.7658612 22.9780364
23.2062700 23.3489589 23.4906593 23.6273412 23.7260901
24.0392688 24.2677480 24.3672711 24.7075790 24.7448967
24.9279884 25.2197599 25.2580939 25.4946667 25.7183032
26.0566264 26.3055217 26.3880791 26.4335522 26.6607205
26.8231379 26.9781327 27.2857770 27.4045207 27.4585306
27.7936230 27.9653967 28.1405991 28.1546986 28.3436242
28.4179760 28.6840494 28.8169117 29.1547837 29.3123110
29.4848776 29.5874880 29.7655482 29.8568825 29.9721442
30.2711818 30.3607889 30.3922884 30.6293396 30.8645908
31.0568960 31.2390078 31.4637940 31.7207890 31.9606483
32.0727688 32.3150613 32.4769153 32.6573499 32.7008171
32.7629345 33.0012820 33.1744393 33.3442685 33.6377822
33.7631021 33.9109479 34.2022250 34.3749832 34.6139121
34.8065806 34.8593254 35.0244309 35.2346126 35.3811565
35.5421805 35.6839923 35.7683549 36.0081839 36.1277699
36.2933353 36.3709794 36.5430855 36.6785460 36.9172559
37.0515493 37.2570939 37.3635055 37.4822377 37.7004873
37.7759611 37.9141719 38.1273866 38.3087617 38.4135473
38.5282211 38.7998836 38.9510133 39.1030517 39.2185447
39.3983270 39.5812916 39.7939875 39.8191571 40.1494419
40.4157367 40.4456528 40.6196186 40.6694336 40.7413996
40.9711952 41.0926616 41.2548911 41.6004577 41.6707033
41.8889391 42.1797453 42.2577408 42.2982433 42.4577057
42.4878019 42.5515853 42.6590270 42.7669560 42.9830241
43.0662302 43.2132154 43.3454672 43.5211928 43.5641392
43.6137492 43.7974566 44.0269435 44.3837707 44.5046933
44.6301825 44.8348876 44.8921536 45.0221841 45.0612551
45.3382269 45.5395397 45.6180262 45.8238343 45.9726428
46.1441345 46.2702715 46.3602243 46.6691219 46.6941183
47.0693525 47.3721106 47.5105458 47.6048360 47.7173087
47.9473978 48.1861169 48.2264790 48.3596147 48.5285547
48.6389653 48.9407177 48.9983690 49.1420978 49.3373392
49.4470954 49.7554920 49.8610472 50.0398170 50.1414617
50.1757086 50.4617183 50.4909006 50.6976278 50.9406857
51.1534347 51.2511432 51.3895020 51.6075403 51.6694376
51.9734249 52.0065803 52.1604896 52.7413824 52.8768030
53.1847323 53.2327704 53.3765604 53.5340624 53.6250711
53.7811850 54.0065995 54.1022054 54.2620434 54.3995092
54.5857009 54.6348997 55.1657715 55.3356107 55.4344341
55.6121037 55.6215273 55.7621116 55.9564431 56.0676601
56.1404333 56.4299414 56.6721467 56.9508420 57.0242291
57.1368282 57.2285615 57.4760321 57.6074211 57.8512984
58.0472903 58.3111634 58.4921244 58.6061885 58.8627077
59.0497183 59.1777970 59.4686165 59.5256840 59.7342464
59.8059803 60.0654541 60.2990512 60.3494169 60.9441138
61.0386820 61.0872467 61.2946535 61.4225229 61.4762148
61.6497922 62.0399632 62.4482538 62.5666875 62.7974638
63.0521728 63.1179402 63.2215553 63.5540655 63.6348622
63.8270834 64.0465498 64.3857300 64.4819642 64.6753498
64.7555247 64.9466899 65.2059023 65.4167617 65.5729966
65.9205047 66.0957314 66.2343129 66.4324045 66.7425978
66.8185961 66.9219888 67.3733150 67.5614210 67.6221089
67.8106940 68.0722940 68.1642511 68.2539379 68.4215634
68.5390693 68.7635247 68.9144080 69.0698518 69.4173134
69.5223390 69.5809182 69.7618733 69.8738096 70.1118953
70.1542421 70.4311031 70.7123633 70.8325555 70.9985456
71.3473239 71.6217460 71.7694740 71.8765181 72.3349901
72.5052989 72.8367955 72.8926805 73.0319115 73.3916679
73.6346280 73.7429957 74.0998158 74.3489943 74.4316142
74.6075809 74.8659936 75.0789256 75.1832922 75.2679935
75.7433323 75.8272869 76.0198419 76.1934500 76.5154998
76.8788026 76.9008333 77.3536247 77.4921061 77.6399378
77.9593985 78.1117899 78.3764089 78.5287534 78.6683365
78.8279763 79.2706713 79.5950380 79.9013083 80.0686794
80.4496632 80.6704247 80.8491908 81.0552182 81.1329144
81.3564558 81.6495183 81.7986571 82.0908161 82.3646588
82.4452002 82.7032823 83.1214287 83.2402471 83.2842348
83.4002520 83.8012008 83.9438781 84.5633628 84.6889443
84.9035181 84.9770439 85.1826136 85.3585499 85.5519783
85.8094775 85.9279867 86.1423640 86.4609967 86.5868798
86.9951512 87.2065486 87.6333700 87.8521796 88.0796567
88.3841289 88.4942456 88.8880482 89.0131041 89.4307805
89.5319741 89.8977018 90.1106202 90.3080906 90.5648757
90.7309079 91.0015212 91.1636758 91.7209606 91.9096549
92.2335725 92.3448040 92.3967223 92.8346711 93.2471774
93.3412480 93.5940883 93.7280951 93.9793680 94.1849601
94.5789211 94.7265494 94.9879759 95.5011344 95.9629632
96.4165435 96.8955555 97.2180643 97.4381320 97.8321674
98.3293726 98.6633096 98.7727426 98.9654830 99.2664659
99.6235675 99.8355912 100.4482707 100.8468600 101.2424359
101.6634619 101.8889889 101.9206310 102.3070375 102.4463029
102.8643608 103.3467327 103.8210381 104.1186130 104.3041740
104.6410040 105.3960743 105.7306918 105.9139187 106.3986282
106.7434184 107.2302513 107.6904616 107.8806079 108.3818147
108.9096233 109.0366491 109.5410461 109.6818973 110.1119948
110.4642557 110.7786866 111.3250742 111.9924319 112.5802452
112.7409138 113.1892659 113.4404610 114.0663553 114.3545245
114.5617581 115.0435525 115.2464472 115.6813506 116.2253835
117.0623204 117.5290582 117.7963636 118.2424705 118.7161867
118.9431652 119.1448552 120.6141333 120.7169025 121.7378219
121.7952651 122.4698435 123.0057638 123.4739166 124.2963154
124.3365498 125.1614190 126.0091326 126.1470330 126.5240553
127.3616246 128.3236110 128.8631891 129.7348526 130.2300179
131.8732538 132.8664172 132.9252915 134.0697389 134.4417224
135.1543401 135.6441530 136.3711114 138.0557117 138.6193342
140.0847046 140.8674017 141.3512856 142.7450816 142.9497189
143.9319011 148.5313476 149.9027263 152.3350837 154.2717713
156.5687468 160.3155310 160.8210011 166.9158203 168.0706063
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034234 0.0034269 0.0034299 0.0034380 0.0034399
0.0034440 80.7681710 85.3718736 101.1139122 105.7375408
112.7378934 123.4996947 135.3511673 137.2896835 148.1844034
156.6835727 165.9217348 174.1737967 178.1662616 189.6336447
192.2826815 199.4886951 208.6275634 215.1388590 220.2824858
225.1995866 230.0422012 234.7500998 240.3096701 247.1873312
255.6617817 260.9800569 271.9159635 274.1306392 280.0302650
281.5571336 286.2283967 291.3620887 295.3406006 297.3931257
302.8110148 305.3347134 311.5630019 314.0677427 317.4752929
323.5358916 326.4339423 332.0296513 334.9503318 341.0234558
344.4992228 352.1268853 356.4049298 359.3607410 360.7103149
362.6490861 364.4124313 368.5724800 371.6620932 374.4672948
376.2509430 382.0153028 384.2998584 391.0344567 394.5283590
399.3746211 399.5664252 402.2666833 407.3320237 412.4180719
414.8116222 419.0150648 421.3590001 421.8605276 431.0954241
433.2305964 435.6165340 440.1307651 441.6947548 443.9734408
446.0299398 446.9861847 450.9269618 452.7839400 453.7721341
460.4500208 462.3971211 463.7727410 467.1219268 468.8226440
473.1567292 476.2135316 477.8046534 479.2346572 480.7312832
486.9072614 490.1758178 492.2451858 493.6321428 495.2257545
500.4286994 502.4824247 504.9605567 505.7533438 506.5823295
508.2391896 510.2337708 512.9535328 518.1283095 520.5371588
523.1159362 524.7217194 526.3115291 527.8404960 528.9423835
532.4218955 534.9460910 536.0418879 539.7720301 540.1795055
542.1742618 545.3379915 545.7522901 548.3021505 550.7017244
554.3121180 556.9532462 557.8265347 558.3069638 560.7008586
562.4061635 564.0287268 567.2355519 568.4684752 569.0283794
572.4899430 574.2563048 576.0523464 576.1966406 578.1266251
578.8844076 581.5880995 582.9334792 586.3409038 587.9228097
589.6508713 590.6760032 592.4507080 593.3589669 594.5031869
597.4615596 598.3451933 598.6555055 600.9856420 603.2891878
605.1656987 606.9373943 609.1171468 611.5997102 613.9076854
614.9835614 617.3021254 618.8461113 620.5628169 620.9756672
621.5651792 623.8219988 625.4564502 627.0553497 629.8091377
630.9812457 632.3612441 635.0712608 636.6731394 638.8819573
640.6575674 641.1428002 642.6593402 644.5847558 645.9238085
647.3919794 648.6822267 649.4485673 651.6222259 652.7033733
654.1972599 654.8966643 656.4443088 657.6598602 659.7964675
660.9954450 662.8263555 663.7722434 664.8260614 666.7588090
667.4258782 668.6457183 670.5231853 672.1161601 673.0347489
674.0385864 676.4107357 677.7268014 679.0482067 680.0502701
681.6072021 683.1880496 685.0211962 685.2377991 688.0738242
690.3519087 690.6073637 692.0909991 692.5152515 693.1276951
695.0796872 696.1092678 697.4819977 700.3970924 700.9881809
702.8213741 705.2567587 705.9085107 706.2467232 707.5767297
707.8274685 708.3585702 709.2523003 710.1489514 711.9406061
712.6293566 713.8444241 714.9359313 716.3836659 716.7370400
717.1450267 718.6537994 720.5341159 723.4480961 724.4329354
725.4535523 727.1153667 727.5795780 728.6325357 728.9486267
731.1854591 732.8069824 733.4381995 735.0908095 736.2834105
737.6554110 738.6629297 739.3805888 741.8397404 742.0383821
745.0139289 747.4061161 748.4973893 749.2397613 750.1243280
751.9306732 753.8001948 754.1158314 755.1560332 756.4739180
757.3339819 759.6795702 760.1268834 761.2409215 762.7516264
763.5995665 765.9771120 766.7891833 768.1625615 768.9423406
769.2048916 771.3940730 771.6170916 773.1951115 775.0463471
776.6631146 777.4045157 778.4531584 780.1028424 780.5705242
782.8633262 783.1129924 784.2709162 788.6258979 789.6376998
791.9335990 792.2911683 793.3604972 794.5301474 795.2052174
796.3618815 798.0290425 798.7350912 799.9141009 800.9266990
802.2961824 802.6576610 806.5478322 807.7884404 808.5094299
809.8040460 809.8726546 810.8954917 812.3072518 813.1141076
813.6416285 815.7368473 817.4856018 819.4932016 820.0210325
820.8302332 821.4888917 823.2631367 824.2035809 825.9463446
827.3442558 829.2226063 830.5083015 831.3176843 833.1350358
834.4574478 835.3619259 837.4120345 837.8137383 839.2801946
839.7839829 841.6037515 843.2386796 843.5907698 847.7370487
848.3945184 848.7319594 850.1715691 851.0578967 851.4297872
852.6309416 855.3247640 858.1346326 858.9479778 860.5306284
862.2740350 862.7236208 863.4314592 865.6990656 866.2491758
867.5565244 869.0467705 871.3448974 871.9958327 873.3024393
873.8435675 875.1324562 876.8771128 878.2937676 879.3419570
881.6689413 882.8399688 883.7649996 885.0855820 887.1495438
887.6544885 888.3409857 891.3314662 892.5748958 892.9756895
894.2199917 895.9431915 896.5481403 897.1377612 898.2387300
899.0097082 900.4805678 901.4679593 902.4840649 904.7512277
905.4353949 905.8167725 906.9938608 907.7212266 909.2663813
909.5409333 911.3338999 913.1517515 913.9274792 914.9977086
917.2424047 919.0046994 919.9519872 920.6377852 923.5693107
924.6559184 926.7672866 927.1227557 928.0077738 930.2906565
931.8292287 932.5146609 934.7680164 936.3383893 936.8584951
937.9652733 939.5882492 940.9234773 941.5772353 942.1074747
945.0776313 945.6012528 946.8011161 947.8816148 949.8827264
952.1351217 952.2715363 955.0709043 955.9254245 956.8367993
958.8032999 959.7399545 961.3642336 962.2981080 963.1529599
964.1297163 966.8331844 968.8092516 970.6713816 971.6874939
973.9964980 975.3319519 976.4120242 977.6553248 978.1237825
979.4703430 981.2328828 982.1286207 983.8809840 985.5206578
986.0023924 987.5444514 990.0378082 990.7451626 991.0069045
991.6969137 994.0778595 994.9237428 998.5881377 999.3293437
1000.5945279 1001.0276873 1002.2377595 1003.2722373 1004.4083360
1005.9187631 1006.6131472 1007.8680387 1009.7303241 1010.4651163
1012.8445696 1014.0744244 1016.5530246 1017.8213366 1019.1382153
1020.8981653 1021.5339294 1023.8043380 1024.5242761 1026.9251516
1027.5059855 1029.6024678 1030.8210289 1031.9498926 1033.4159921
1034.3628371 1035.9042296 1036.8267521 1039.9909917 1041.0602106
1042.8931038 1043.5217663 1043.8150707 1046.2859219 1048.6079057
1049.1367059 1050.5566818 1051.3084993 1052.7167676 1053.8676160
1056.0693975 1056.8932862 1058.3506895 1061.2056301 1063.7684491
1066.2794992 1068.9249365 1070.7023728 1071.9135356 1074.0787336
1076.8046301 1078.6315519 1079.2295717 1080.2820367 1081.9235160
1083.8678268 1085.0205842 1088.3448146 1090.5020102 1092.6386861
1094.9082487 1096.1220306 1096.2922202 1098.3684127 1099.1157352
1101.3560608 1103.9353889 1106.4657208 1108.0502788 1109.0372269
1110.8264935 1114.8270499 1116.5953558 1117.5624436 1120.1167575
1121.9301876 1124.4857136 1126.8961614 1127.8905886 1130.5076081
1133.2569948 1133.9176842 1136.5373754 1137.2678379 1139.4954505
1141.3166831 1142.9398787 1145.7550418 1149.1841249 1152.1960324
1153.0179158 1155.3083226 1156.5895704 1159.7758544 1161.2399181
1162.2916431 1164.7331127 1165.7597416 1167.9572733 1170.7004199
1174.9079554 1177.2478565 1178.5858490 1180.8154523 1183.1784455
1184.3089897 1185.3126713 1192.5988342 1193.1068028 1198.1413146
1198.4239588 1201.7381871 1204.3646820 1206.6543766 1210.6661717
1210.8621008 1214.8719909 1218.9791894 1219.6460130 1221.4672635
1225.5035550 1230.1230782 1232.7065900 1236.8687345 1239.2268952
1247.0206385 1251.7076094 1251.9849000 1257.3629587 1259.1060602
1262.4386392 1264.7241725 1268.1086655 1275.9171349 1278.5189944
1285.2589584 1288.8445288 1291.0562417 1297.4058650 1298.3355030
1302.7881845 1323.4402567 1329.5358307 1340.2791085 1348.7719120
1358.7758455 1374.9378865 1377.1037500 1402.9559357 1407.8006573
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 240504004523197781.eigenfacs
Openam> file on opening on unit 10:
240504004523197781.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 240504004523197781.atom
Openam> file on opening on unit 11:
240504004523197781.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 = 196
First residue number = 96
Last residue number = 1291
Number of atoms found = 200
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: 9.9385E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9587E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9764E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0023E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0035E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0059E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5532
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6181
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8670
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9481
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.078
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.293
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.554
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 1.598
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 1.862
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 2.082
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 2.335
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 2.573
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 2.692
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 3.050
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 3.135
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 3.375
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 3.691
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 3.925
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 4.115
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 4.301
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 4.488
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 4.673
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 4.897
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 5.182
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 5.543
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 5.776
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 6.270
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 6.373
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 6.650
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 6.723
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 6.948
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 7.199
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 7.397
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 7.500
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 7.776
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 7.906
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 8.232
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 8.365
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 8.547
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 8.877
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 9.036
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 9.349
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 9.514
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 9.862
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 10.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 10.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 10.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 10.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 11.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 11.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 11.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 11.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 11.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 11.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 12.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 12.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 12.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 12.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 13.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 13.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 13.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 13.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 14.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 14.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 14.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 14.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 15.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 15.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 15.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 15.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 16.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 16.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 16.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 16.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 16.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 16.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 17.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 17.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 17.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 17.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 18.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 18.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 18.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 18.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 18.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 19.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 19.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 19.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 19.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 20.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 20.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 20.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 20.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 20.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 21.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 21.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 21.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 21.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 21.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 21.91
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 600 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 : 0.553200
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= 0.655 for 199 C-alpha atoms.
Bfactors> = 1.551 +/- 2.52
Bfactors> = 17.913 +/- 7.97
Bfactors> Shiftng-fct= 16.362
Bfactors> Scaling-fct= 3.159
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 240504004523197781 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=-80
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=-60
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=-40
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=-20
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=0
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=20
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=40
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=60
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=80
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=100
240504004523197781.eigenfacs
240504004523197781.atom
making animated gifs
11 models are in 240504004523197781.7.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 240504004523197781.7.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 240504004523197781.7.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 240504004523197781 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=-80
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=-60
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=-40
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=-20
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=0
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=20
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=40
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=60
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=80
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=100
240504004523197781.eigenfacs
240504004523197781.atom
making animated gifs
11 models are in 240504004523197781.8.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 240504004523197781.8.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 240504004523197781.8.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 240504004523197781 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=-80
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=-60
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=-40
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=-20
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=0
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=20
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=40
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=60
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=80
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=100
240504004523197781.eigenfacs
240504004523197781.atom
making animated gifs
11 models are in 240504004523197781.9.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 240504004523197781.9.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 240504004523197781.9.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 240504004523197781 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=-80
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=-60
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=-40
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=-20
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=0
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=20
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=40
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=60
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=80
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=100
240504004523197781.eigenfacs
240504004523197781.atom
making animated gifs
11 models are in 240504004523197781.10.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 240504004523197781.10.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 240504004523197781.10.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 240504004523197781 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=-80
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=-60
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=-40
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=-20
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=0
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=20
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=40
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=60
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=80
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=100
240504004523197781.eigenfacs
240504004523197781.atom
making animated gifs
11 models are in 240504004523197781.11.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 240504004523197781.11.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 240504004523197781.11.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 240504004523197781 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=-80
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=-60
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=-40
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=-20
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=0
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=20
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=40
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=60
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=80
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=100
240504004523197781.eigenfacs
240504004523197781.atom
making animated gifs
11 models are in 240504004523197781.12.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 240504004523197781.12.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 240504004523197781.12.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 240504004523197781 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=-80
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=-60
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=-40
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=-20
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=0
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=20
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=40
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=60
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=80
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=100
240504004523197781.eigenfacs
240504004523197781.atom
making animated gifs
11 models are in 240504004523197781.13.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 240504004523197781.13.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 240504004523197781.13.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 240504004523197781 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=-80
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=-60
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=-40
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=-20
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=0
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=20
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=40
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=60
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=80
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=100
240504004523197781.eigenfacs
240504004523197781.atom
making animated gifs
11 models are in 240504004523197781.14.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 240504004523197781.14.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 240504004523197781.14.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 240504004523197781 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=-80
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=-60
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=-40
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=-20
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=0
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=20
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=40
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=60
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=80
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=100
240504004523197781.eigenfacs
240504004523197781.atom
making animated gifs
11 models are in 240504004523197781.15.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 240504004523197781.15.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 240504004523197781.15.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 240504004523197781 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=-80
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=-60
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=-40
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=-20
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=0
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=20
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=40
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=60
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=80
240504004523197781.eigenfacs
240504004523197781.atom
calculating perturbed structure for DQ=100
240504004523197781.eigenfacs
240504004523197781.atom
making animated gifs
11 models are in 240504004523197781.16.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 240504004523197781.16.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 240504004523197781.16.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
240504004523197781.10.pdb
240504004523197781.11.pdb
240504004523197781.12.pdb
240504004523197781.13.pdb
240504004523197781.14.pdb
240504004523197781.15.pdb
240504004523197781.16.pdb
240504004523197781.7.pdb
240504004523197781.8.pdb
240504004523197781.9.pdb
STDERR:
real 0m3.198s
user 0m3.182s
sys 0m0.016s
../../bin/check_modes: error while loading shared libraries: libgfortran.so.3: cannot open shared object file: No such file or directory
mv: cannot stat 'Chkmod.res': No such file or directory
cat: 240504004523197781.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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
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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