*** ***
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 = 2404131355563961978.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 2404131355563961978.atom to be opened.
Openam> File opened: 2404131355563961978.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 = 185
First residue number = 96
Last residue number = 290
Number of atoms found = 185
Mean number per residue = 1.0
Pdbmat> Coordinate statistics:
= 103.570751 +/- 9.463154 From: 82.027000 To: 123.532000
= -69.303443 +/- 8.267547 From: -89.237000 To: -50.120000
= -263.740454 +/- 9.498110 From: -283.712000 To: -242.915000
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 9.8483 % Filled.
Pdbmat> 15195 non-zero elements.
Pdbmat> 1565 atom-atom interactions.
Pdbmat> Number per atom= 16.92 +/- 5.20
Maximum number = 27
Minimum number = 5
Pdbmat> Matrix trace = 31300.0
Pdbmat> Larger element = 107.169
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 185 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) = 555
Diagstd> Number of non-zero elements 15195
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 31300.0000006
%Diagstd-Wn: Nb on non-zero elements there: 555
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 555 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 31300.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.3972740 0.7952567 0.8617892 0.9077872
1.0734699 1.4376282 1.5898168 1.9266061 1.9820376
2.0757736 2.3435179 2.3998737 2.7255130 2.8818495
3.1202294 3.2394366 3.5572302 3.7444947 3.9246384
4.2947431 4.5353553 4.8212644 5.0117570 5.0378543
5.5406527 5.6144103 5.7079061 6.2194383 6.4432970
6.5199349 6.6826711 6.7293246 7.1669706 7.3441634
7.5460975 7.6716976 7.8468374 8.0732975 8.2974181
8.4420346 8.5893106 9.1029064 9.2902119 9.4728877
9.5849119 9.8747828 10.1144230 10.2496470 10.3596287
10.5122332 10.8972032 11.0994205 11.3210747 11.4418834
11.8101049 11.9002289 12.3929641 12.9555796 12.9804734
13.0790385 13.2469412 13.4779247 13.8528296 13.9581643
14.2955378 14.4089454 14.5655023 14.6915755 14.8652055
15.1085725 15.1295470 15.3845685 15.6462475 15.7088113
16.2792194 16.5401112 16.7713339 16.8341031 17.0227736
17.1273812 17.7646755 17.7803247 18.0262617 18.2128250
18.3639217 18.4649988 18.6015630 18.7337910 19.2065687
19.2513138 19.5423946 19.6536426 19.9521723 20.1882660
20.3359979 20.5071621 20.5285682 20.7484239 21.4026861
21.4903403 21.8655444 22.0425235 22.1073159 22.5267309
22.6750643 22.9147234 23.1255221 23.3213590 23.6787971
23.7891930 24.1840726 24.2669205 24.5085307 24.6329953
24.8014532 24.8360610 25.1274542 25.2232951 25.4967987
25.6440643 25.7241026 25.9538202 26.0413433 26.3527788
26.4512994 26.6594337 26.6979993 26.9257914 27.0825641
27.5382295 27.6506116 27.9829940 28.0505735 28.3935181
28.4538740 28.6278534 28.6833167 29.0231232 29.0846128
29.2707109 29.4810341 29.6976262 29.7927233 29.9340012
30.1317318 30.2142562 30.3259811 30.6451931 30.8177298
30.9039410 30.9705919 31.2728188 31.3807515 31.4727318
31.6930695 31.7385473 31.9196335 32.0493260 32.3247964
32.4971862 32.7056548 32.8167929 33.0611589 33.0769458
33.3061374 33.6215148 33.7840381 33.9667227 34.0434407
34.1736403 34.4417429 34.6483021 34.9394107 35.0337970
35.1501443 35.4571568 35.5750081 35.8332960 35.9229273
36.1073480 36.2395074 36.3844200 36.5041886 36.7057101
36.9770271 37.3337675 37.4843695 37.5361557 37.7772759
37.7908616 38.1362753 38.3226484 38.4802969 38.7474539
39.0018194 39.0729089 39.1391741 39.5819698 39.6825101
39.7352703 40.0978695 40.2647392 40.4550066 40.6033157
40.9766186 41.0301263 41.0852225 41.2775296 41.4112117
41.5099316 41.8313165 42.0026254 42.0559973 42.1874517
42.2748311 42.4486228 42.7115860 42.7305992 42.8391121
42.9701576 43.1593385 43.3693077 43.4834391 43.5869891
43.5982845 43.9425700 44.0532816 44.2483941 44.3161180
44.4081210 44.5702736 44.6505890 44.8583677 44.9729238
45.1502725 45.2167330 45.4626957 45.5980079 45.7785802
45.9992435 46.1057653 46.3185138 46.4510836 46.8414509
46.9415319 47.1514616 47.3569142 47.4136040 47.4981379
47.5782679 47.7613503 47.8825632 48.1304209 48.2171807
48.4640067 48.6088654 48.8800173 49.0228878 49.2740579
49.3546913 49.4691320 49.5706715 49.6779400 50.1608033
50.3232865 50.3758917 50.8010745 50.8080108 51.0293422
51.2823799 51.4058351 51.7475034 51.8091808 52.0386092
52.1849094 52.2628180 52.5763404 52.7523866 52.8404815
53.1413595 53.3069126 53.4940239 53.6562967 53.8147881
54.0787020 54.1954067 54.3125221 54.5319828 54.6686633
54.8461100 55.1413995 55.1949813 55.3233149 55.6786936
56.0663893 56.2981949 56.5113480 56.5687445 57.0213346
57.1395505 57.3292385 57.5360895 57.6705437 57.8321124
57.9804946 58.1632953 58.3565478 58.4374050 58.8428328
58.9698354 59.2140798 59.3545789 59.4186050 59.7026449
59.8287964 59.9396048 60.2059088 60.2823851 60.4716929
60.6600603 60.9684073 61.1498244 61.4316750 61.6004708
61.7785086 61.9723155 62.2161032 62.3911737 62.5482140
62.7382814 62.8384382 63.1288409 63.2391295 63.4193586
63.6739565 63.9317428 64.1550630 64.3672580 64.6372199
64.7032819 64.7949646 65.1618103 65.2401144 65.5476282
65.6544979 65.9482941 66.1729583 66.6215511 66.7812640
67.0252078 67.1686206 67.2934048 67.4654172 67.5434829
67.7512856 67.8804900 68.0708971 68.3692284 68.5862207
68.8798478 68.9646011 69.2168765 69.6082437 69.6446114
69.8898473 70.0317315 70.2330150 70.4697044 70.6843767
70.7578923 71.0353016 71.3403378 71.4834858 71.5936231
71.9716646 72.0798747 72.2916558 72.6064269 73.1393678
73.4701808 73.7005794 73.7492786 74.1705421 74.1750274
74.3395390 74.7625851 75.1337277 75.3252967 75.8154879
75.9278408 76.1726555 76.3262969 76.5361128 76.7934124
76.9412180 77.1928088 77.8613875 78.2446544 78.4247794
78.5023982 78.6544644 78.7784670 79.0153563 79.3945673
79.5520100 79.8655256 80.1274724 80.2954885 80.4589794
80.8568061 80.9294286 81.3352848 81.8507379 82.0551836
82.1559936 82.5187440 82.7759420 82.8643234 83.1137266
83.4997533 83.7093628 83.8716802 83.9685935 84.3175905
84.6116899 84.9747504 85.0309082 85.2641605 85.5972501
85.8772549 86.0538752 86.4887209 86.5738016 87.0835680
87.2807939 87.5449702 87.6889775 88.4037393 88.4973976
88.5741872 89.0690826 89.3604391 89.8212310 90.4218910
90.4364631 90.8829672 91.2055949 91.5229160 91.6286854
91.9338307 92.3375014 92.5969839 92.6636110 93.0846449
93.7286744 93.8193128 94.1315183 94.2466137 94.6863798
94.9089090 95.1801459 95.4671868 95.5784457 95.8406085
96.3723465 97.0644370 97.7310048 97.9994093 98.1196741
98.5381525 98.8975083 99.1829637 99.5846902 99.8291584
100.1840031 100.7142648 101.4556434 101.9157058 102.0883061
102.4642338 103.2327849 103.4036124 103.8460910 104.2200706
104.8555455 105.2023791 105.4714506 106.1752575 106.2578353
106.8537758 107.3614101 107.4990271 107.5461765 108.3142383
108.6429247 109.3422437 109.7626340 110.2017742 110.3497753
110.8467543 111.1866925 111.5068050 111.9704483 112.9938886
113.3838178 113.9246127 114.4928802 114.9059192 115.7288145
116.5610671 117.4795381 117.6207445 117.8438965 117.8616103
118.7783520 119.5969402 120.1643603 121.2070767 121.5332499
122.5017936 122.6419408 123.0654038 124.7018989 126.1260557
126.4534590 127.2211588 127.8859878 128.6677980 129.7461396
129.9080713 131.1102873 132.7097135 134.6921217 134.8837571
135.3267642 136.3591345 136.6977705 137.6414810 138.4453581
140.5403625 140.5936133 143.1182577 144.8993760 146.5006838
148.1535679 150.7517947 152.9015370 153.1631315 161.8484152
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034234 0.0034260 0.0034284 0.0034367 0.0034386
0.0034431 68.4447866 96.8386975 100.8081841 103.4635348
112.5097655 130.2022752 136.9206074 150.7272403 152.8801926
156.4534973 166.2376588 168.2245879 179.2748672 184.3448147
191.8176385 195.4474573 204.8100501 210.1318517 215.1270911
225.0421540 231.2602208 238.4381560 243.1029800 243.7351045
255.6087658 257.3044833 259.4380614 270.8138445 275.6445157
277.2789562 280.7180398 281.6962191 290.7120882 294.2838606
298.3022201 300.7745025 304.1883712 308.5465952 312.8000172
315.5141526 318.2544136 327.6312503 330.9848303 334.2231084
336.1935232 341.2393104 345.3550703 347.6560051 349.5162520
352.0811502 358.4699913 361.7807313 365.3752354 367.3195465
373.1832634 374.6044549 382.2811433 390.8622279 391.2375635
392.7201537 395.2328957 398.6637912 404.1704204 405.7041348
410.5778630 412.2032184 414.4365158 416.2262503 418.6785772
422.0918797 422.3847622 425.9297152 429.5368002 430.3947269
438.1391573 441.6360252 444.7122398 445.5436631 448.0334523
449.4079613 457.6926309 457.8941811 461.0500950 463.4297789
465.3481549 466.6270617 468.3494328 470.0111008 475.9048951
476.4589257 480.0474531 481.4118846 485.0543159 487.9156958
489.6976557 491.7541823 492.0107711 494.6384092 502.3766219
503.4043065 507.7798086 509.8306450 510.5794003 515.3999423
517.0940540 519.8195272 522.2050332 524.4115002 528.4149524
529.6453146 534.0230455 534.9369705 537.5933877 538.9567207
540.7964658 541.1736465 544.3390929 545.3762114 548.3250766
549.9063171 550.7638111 553.2175203 554.1495331 557.4532972
558.4943529 560.6873273 561.0927266 563.4813140 565.1193399
569.8535888 571.0151763 574.4369526 575.1301730 578.6352461
579.2499196 581.0181142 581.5806715 585.0154728 585.6348646
587.5054715 589.6124385 591.7743658 592.7210923 594.1247799
596.0838104 596.8995257 598.0021016 601.1411548 602.8310342
603.6736414 604.3242654 607.2657604 608.3127937 609.2036560
611.3324255 611.7708827 613.5136477 614.7587668 617.3951014
619.0392125 621.0215984 622.0758592 624.3876674 624.5367245
626.6967103 629.6568301 631.1768467 632.8810665 633.5953829
634.8058235 637.2910813 639.1992532 641.8788536 642.7452631
643.8116579 646.6171730 647.6908833 650.0378703 650.8503455
652.5188709 653.7119485 655.0176586 656.0948524 657.9033466
660.3303760 663.5080398 664.8449671 665.3040637 667.4374931
667.5574958 670.6013408 672.2379673 673.6192468 675.9535691
678.1686567 678.7864317 679.3617775 683.1939029 684.0610268
684.5156250 687.6317633 689.0610878 690.6872174 691.9520973
695.1256899 695.5793931 696.0462564 697.6733423 698.8021768
699.6346159 702.3378065 703.7744542 704.2214488 705.3211821
706.0512414 707.5010402 709.6890906 709.8470331 710.7477779
711.8340420 713.3992859 715.1325161 716.0728746 716.9249842
717.0178724 719.8433664 720.7496046 722.3439453 722.8965219
723.6465219 724.9664860 725.6193851 727.3057377 728.2338160
729.6682819 730.2051147 732.1884469 733.2772568 734.7277446
736.4963940 737.3486646 739.0479013 740.1047728 743.2081266
744.0016687 745.6634569 747.2862275 747.7333726 748.3996438
749.0306582 750.4704190 751.4221200 753.3644279 754.0431288
755.9706563 757.0996099 759.2083150 760.3170430 762.2623072
762.8857459 763.7697000 764.5531486 765.3799296 769.0906325
770.3352627 770.7377907 773.9835478 774.0363855 775.7204943
777.6413868 778.5768558 781.1599719 781.6253624 783.3541002
784.4544789 785.0398301 787.3910192 788.7081642 789.3664491
791.6106179 792.8427242 794.2329748 795.4367058 796.6106306
798.5615761 799.4227808 800.2860847 801.9013134 802.9056386
804.2076419 806.3696477 806.7613339 807.6986882 810.2887304
813.1048928 814.7840433 816.3250316 816.7394818 820.0002204
820.8497876 822.2111594 823.6931437 824.6550128 825.8093736
826.8681011 828.1705491 829.5452413 830.1197402 832.9943703
833.8928271 835.6179734 836.6087344 837.0598399 839.0581610
839.9441568 840.7216238 842.5871636 843.1221396 844.4449516
845.7591387 847.9059934 849.1665677 851.1212994 852.2898097
853.5205660 854.8583183 856.5380956 857.7423592 858.8211612
860.1250365 860.8113240 862.7981154 863.5514583 864.7811272
866.5152266 868.2675132 869.7826660 871.2198957 873.0449703
873.4910010 874.1096377 876.5805921 877.1071214 879.1718437
879.8882583 881.8547595 883.3555778 886.3446958 887.4064840
889.0258007 889.9764095 890.8027142 891.9405027 892.4563955
893.8281958 894.6800735 895.9339989 897.8951372 899.3188920
901.2418903 901.7961866 903.4440853 905.9946189 906.2312623
907.8253927 908.7464188 910.0514304 911.5836039 912.9710297
913.4456755 915.2345257 917.1974973 918.1172379 918.8242542
921.2469306 921.9392223 923.2926244 925.3005337 928.6902399
930.7881267 932.2464349 932.5543847 935.2140156 935.2422927
936.2788478 938.9391228 941.2668167 942.4660304 945.5276805
946.2280220 947.7522591 948.7075928 950.0106652 951.6062010
952.5215472 954.0776056 958.2004042 960.5558439 961.6608438
962.1366152 963.0680364 963.8268994 965.2749405 967.5884448
968.5473537 970.4540062 972.0441747 973.0627614 974.0528913
976.4580079 976.8964185 979.3428934 982.4412291 983.6674286
984.2714920 986.4420678 987.9781642 988.5054646 989.9919380
992.2883135 993.5330037 994.4957971 995.0701985 997.1359493
998.8734383 1001.0141789 1001.3448972 1002.7173752 1004.6740540
1006.3159516 1007.3502450 1009.8921988 1010.3888026 1013.3591369
1014.5060101 1016.0401730 1016.8754989 1021.0114154 1021.5521218
1021.9952283 1024.8463765 1026.5212104 1029.1644630 1032.5998864
1032.6830880 1035.2292379 1037.0651029 1038.8676065 1039.4677224
1041.1971210 1043.4805047 1044.9456459 1045.3215179 1047.6936303
1051.3117487 1051.8199504 1053.5685840 1054.2124911 1056.6691701
1057.9101181 1059.4207220 1061.0170011 1061.6350836 1063.0900696
1066.0350819 1069.8560579 1073.5232686 1074.9963985 1075.6558138
1077.9471978 1079.9109756 1081.4683672 1083.6563212 1084.9856274
1086.9122180 1089.7848688 1093.7885807 1096.2657312 1097.1936342
1099.2119184 1103.3266340 1104.2391378 1106.5992127 1108.5900130
1111.9646534 1113.8021730 1115.2256252 1118.9403668 1119.3754103
1122.5099951 1125.1732113 1125.8941099 1126.1409930 1130.1551155
1131.8685804 1135.5055751 1137.6863316 1139.9598974 1140.7251239
1143.2909633 1145.0427096 1146.6898447 1149.0713298 1154.3107964
1156.3007796 1159.0550424 1161.9421886 1164.0361848 1168.1968541
1172.3898168 1176.9998172 1177.7069616 1178.8236146 1178.9122093
1183.4881885 1187.5593261 1190.3731426 1195.5266698 1197.1341945
1201.8949323 1202.5822448 1204.6566179 1212.6397876 1219.5445998
1221.1264466 1224.8275711 1228.0237366 1231.7716791 1236.9225376
1237.6941771 1243.4080214 1250.9692548 1260.2780646 1261.1742864
1263.2436650 1268.0529778 1269.6265510 1274.0015275 1277.7164310
1287.3475623 1287.5914276 1299.1006513 1307.1593626 1314.3623376
1321.7561435 1333.2958453 1342.7686894 1343.9168489 1381.4955993
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404131355563961978.eigenfacs
Openam> file on opening on unit 10:
2404131355563961978.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404131355563961978.atom
Openam> file on opening on unit 11:
2404131355563961978.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 = 185
First residue number = 96
Last residue number = 290
Number of atoms found = 185
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: 9.9388E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9535E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9674E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0016E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0027E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0053E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3973
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7953
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8618
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9078
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.073
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.438
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.590
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 1.927
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 1.982
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 2.076
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 2.344
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 2.400
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 2.726
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 2.882
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 3.120
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 3.239
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 3.557
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 3.744
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 3.925
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 4.295
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 4.535
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 4.821
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 5.012
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 5.038
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 5.541
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 5.614
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 5.708
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 6.219
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 6.443
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 6.520
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 6.683
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 6.729
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 7.167
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 7.344
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 7.546
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 7.672
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 7.847
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 8.073
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 8.297
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 8.442
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 8.589
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 9.103
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 9.290
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 9.473
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 9.585
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 9.875
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 10.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 10.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 10.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 10.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 10.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 11.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 11.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 11.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 11.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 11.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 12.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 12.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 12.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 13.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 13.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 13.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 13.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 13.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 14.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 14.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 14.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 14.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 14.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 15.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 15.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 15.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 15.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 15.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 16.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 16.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 16.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 16.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 17.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 17.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 17.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 17.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 18.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 18.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 18.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 18.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 18.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 18.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 19.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 19.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 19.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 19.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 19.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 20.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 20.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 20.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 20.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 20.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 21.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 21.49
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 555 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 : 0.397300
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= 0.562 for 185 C-alpha atoms.
Bfactors> = 1.712 +/- 2.73
Bfactors> = 25.341 +/- 13.27
Bfactors> Shiftng-fct= 23.629
Bfactors> Scaling-fct= 4.862
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404131355563961978 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=-80
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=-60
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=-40
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=-20
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=0
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=20
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=40
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=60
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=80
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=100
2404131355563961978.eigenfacs
2404131355563961978.atom
making animated gifs
11 models are in 2404131355563961978.7.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 2404131355563961978.7.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 2404131355563961978.7.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 2404131355563961978 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=-80
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=-60
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=-40
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=-20
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=0
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=20
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=40
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=60
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=80
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=100
2404131355563961978.eigenfacs
2404131355563961978.atom
making animated gifs
11 models are in 2404131355563961978.8.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 2404131355563961978.8.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 2404131355563961978.8.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 2404131355563961978 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=-80
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=-60
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=-40
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=-20
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=0
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=20
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=40
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=60
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=80
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=100
2404131355563961978.eigenfacs
2404131355563961978.atom
making animated gifs
11 models are in 2404131355563961978.9.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 2404131355563961978.9.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 2404131355563961978.9.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 2404131355563961978 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=-80
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=-60
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=-40
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=-20
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=0
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=20
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=40
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=60
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=80
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=100
2404131355563961978.eigenfacs
2404131355563961978.atom
making animated gifs
11 models are in 2404131355563961978.10.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 2404131355563961978.10.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 2404131355563961978.10.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 2404131355563961978 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=-80
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=-60
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=-40
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=-20
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=0
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=20
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=40
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=60
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=80
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=100
2404131355563961978.eigenfacs
2404131355563961978.atom
making animated gifs
11 models are in 2404131355563961978.11.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 2404131355563961978.11.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 2404131355563961978.11.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 2404131355563961978 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=-80
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=-60
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=-40
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=-20
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=0
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=20
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=40
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=60
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=80
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=100
2404131355563961978.eigenfacs
2404131355563961978.atom
making animated gifs
11 models are in 2404131355563961978.12.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 2404131355563961978.12.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 2404131355563961978.12.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 2404131355563961978 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=-80
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=-60
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=-40
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=-20
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=0
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=20
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=40
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=60
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=80
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=100
2404131355563961978.eigenfacs
2404131355563961978.atom
making animated gifs
11 models are in 2404131355563961978.13.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 2404131355563961978.13.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 2404131355563961978.13.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 2404131355563961978 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=-80
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=-60
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=-40
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=-20
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=0
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=20
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=40
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=60
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=80
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=100
2404131355563961978.eigenfacs
2404131355563961978.atom
making animated gifs
11 models are in 2404131355563961978.14.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 2404131355563961978.14.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 2404131355563961978.14.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 2404131355563961978 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=-80
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=-60
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=-40
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=-20
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=0
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=20
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=40
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=60
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=80
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=100
2404131355563961978.eigenfacs
2404131355563961978.atom
making animated gifs
11 models are in 2404131355563961978.15.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 2404131355563961978.15.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 2404131355563961978.15.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 2404131355563961978 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=-80
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=-60
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=-40
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=-20
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=0
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=20
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=40
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=60
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=80
2404131355563961978.eigenfacs
2404131355563961978.atom
calculating perturbed structure for DQ=100
2404131355563961978.eigenfacs
2404131355563961978.atom
making animated gifs
11 models are in 2404131355563961978.16.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 2404131355563961978.16.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 2404131355563961978.16.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
2404131355563961978.10.pdb
2404131355563961978.11.pdb
2404131355563961978.12.pdb
2404131355563961978.13.pdb
2404131355563961978.14.pdb
2404131355563961978.15.pdb
2404131355563961978.16.pdb
2404131355563961978.7.pdb
2404131355563961978.8.pdb
2404131355563961978.9.pdb
STDERR:
real 0m2.568s
user 0m2.560s
sys 0m0.008s
../../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: 2404131355563961978.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 25th, 2023.
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