*** ***
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 = 240415004939248518.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 240415004939248518.atom to be opened.
Openam> File opened: 240415004939248518.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 = 186
First residue number = 96
Last residue number = 1291
Number of atoms found = 186
Mean number per residue = 1.0
Pdbmat> Coordinate statistics:
= 103.306774 +/- 9.474875 From: 82.510000 To: 123.336000
= -69.137903 +/- 8.265820 From: -89.126000 To: -49.877000
= -263.938500 +/- 9.494202 From: -283.950000 To: -243.076000
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 9.8852 % Filled.
Pdbmat> 15417 non-zero elements.
Pdbmat> 1589 atom-atom interactions.
Pdbmat> Number per atom= 17.09 +/- 5.19
Maximum number = 29
Minimum number = 5
Pdbmat> Matrix trace = 31780.0
Pdbmat> Larger element = 106.792
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 186 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) = 558
Diagstd> Number of non-zero elements 15417
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 31780.0000006
%Diagstd-Wn: Nb on non-zero elements there: 558
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 558 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 31780.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.3952029 0.7766440 0.8750626 0.8966393
1.0798349 1.4441664 1.5977302 1.9328298 1.9909279
2.1032028 2.3375028 2.4324665 2.4884025 2.9352198
3.1083988 3.3010343 3.6946512 3.7408795 3.7990102
3.9496206 4.3901033 4.6950061 4.8481902 5.0166697
5.5003195 5.6057995 5.7828363 6.2351225 6.5117276
6.6851953 6.7664837 7.2373853 7.3881397 7.5954057
7.9172447 7.9258545 8.0875674 8.2745037 8.5228961
8.9273400 9.1189089 9.2970274 9.3290536 9.6014234
9.7586538 10.0232548 10.3157870 10.4754821 10.6721496
10.8664015 11.2635671 11.3432945 11.5478138 11.7155456
12.2020094 12.2710616 12.6941015 12.8584713 13.2173271
13.3372673 13.5255864 13.7892297 14.0678861 14.2415960
14.4385526 14.6608629 14.8593743 14.9124607 15.0879222
15.2227357 15.3518306 15.4764449 15.8520429 15.9778861
16.4748337 16.6720896 16.9736125 17.0499677 17.2400121
17.4643716 17.7647533 17.9232475 18.1859065 18.3554759
18.6183784 18.8524637 19.1513633 19.4346345 19.6251523
19.8396103 20.0752318 20.3662306 20.5000900 20.6974846
20.8441044 21.1540369 21.4727579 21.5816233 21.8356588
22.1123367 22.3805318 22.4827531 22.8431616 23.0145625
23.1664230 23.3683764 23.4583698 23.8948085 24.0103321
24.2114626 24.3886443 24.6614837 24.6755367 24.9001182
24.9763385 25.3978784 25.6610231 25.8694982 26.1435870
26.2421186 26.3732881 26.4547214 26.5993794 27.0632195
27.1010063 27.5201203 27.6088856 27.6979353 27.8617442
28.0612798 28.1897881 28.3998456 28.6546963 28.7765389
28.9235190 29.2481359 29.3203289 29.3982853 29.5244179
29.5677522 29.8764668 29.9714107 30.0906973 30.2622255
30.5022866 30.6848104 30.8531162 31.0838045 31.1751157
31.3587081 31.5351592 31.8442710 31.8710325 32.1208597
32.2716225 32.3198439 32.5765630 32.7309579 33.0202999
33.1323968 33.2306991 33.4504774 33.6686389 33.6733049
34.1145073 34.2352121 34.3430722 34.6382054 34.8856327
35.1635769 35.2234743 35.3494288 35.4735356 35.6818490
35.7605684 35.8219642 35.9249662 36.0106072 36.2894516
36.4006712 36.6302474 36.6667414 36.8046470 36.9851947
37.2815645 37.4882566 37.6766979 38.0344717 38.0651918
38.2827684 38.3599440 38.7682294 38.9224085 39.1654519
39.1827325 39.3354134 39.5207940 39.6745874 40.0457367
40.1122591 40.6343375 40.7073482 40.8214242 41.0365828
41.2197808 41.2420789 41.4659475 41.5061392 41.6407108
41.9925715 42.1569371 42.3157532 42.3682407 42.5431792
42.7122615 42.7577862 43.0031396 43.1491425 43.2850408
43.3441130 43.4864876 43.6398521 43.8443521 43.9935455
44.1226395 44.3326117 44.4227997 44.5939102 44.7288943
44.8522313 44.9457357 45.0708227 45.2686435 45.4410609
45.5725573 45.8633286 46.1791778 46.3247772 46.4390711
46.6353713 46.8440891 47.1322725 47.2122624 47.3249043
47.3966504 47.6912838 47.8407983 48.0235905 48.1954033
48.3435276 48.3688619 48.4965272 48.8693915 49.1359249
49.1622845 49.5211384 49.6268849 49.8663691 50.0289231
50.2013047 50.2423466 50.4205692 50.5194872 50.7102479
50.8363887 51.0043572 51.2831988 51.5931760 51.7895842
51.8359976 52.0426123 52.1083207 52.2253234 52.5501525
52.9581555 53.0533706 53.2540578 53.3456655 53.5468869
53.6636694 53.7065263 53.9558147 54.1838151 54.4584290
54.5502269 54.7139677 54.8575392 54.9987433 55.2017500
55.6283882 55.7642517 55.8925475 56.0297162 56.2045033
56.3262494 56.4953760 56.8135923 56.9395890 57.2863076
57.4347196 57.5350682 57.9216839 58.0091990 58.2190995
58.3909387 58.5882146 58.7723338 58.9278587 59.1840156
59.2860903 59.4676751 59.8198599 60.0315905 60.1717434
60.3574304 60.4717216 60.7239556 60.9023207 61.1532981
61.3711345 61.7903562 61.9192689 62.0065138 62.0973763
62.2346850 62.3244501 62.3962420 62.5433942 62.8755679
62.9320942 63.0898985 63.4566241 63.7631258 63.9282535
64.0587691 64.2509465 64.5691909 64.8019706 65.0263562
65.1771554 65.1977478 65.4584853 65.5982461 65.8539567
66.1216719 66.1549226 66.4253951 66.6784984 66.9778105
67.1742542 67.5724707 67.7374470 67.8904392 68.0581182
68.1529031 68.3823376 68.4684200 68.5566885 68.8200791
69.0409379 69.3487858 69.6499133 69.8531426 69.9889611
70.1532866 70.4073409 70.5872987 70.7709564 71.0501527
71.1637183 71.3693780 71.5970878 71.9876840 72.2736587
72.3837673 72.6406724 72.9065370 73.0113174 73.2018777
73.4547549 73.5663813 73.9164032 74.1472376 74.4371401
74.7135551 74.7887055 74.9480816 75.3436771 75.8221798
75.9158765 76.0841500 76.3757631 76.4439560 76.6124826
76.8196000 77.4784300 77.5958202 77.7870901 78.1127090
78.3138966 78.5575493 78.7442360 78.8601609 78.9478347
79.1435639 79.5080589 79.7497591 79.8576875 80.1290306
80.4108973 80.5028547 80.9040718 80.9441747 81.5338662
81.6923958 82.2567128 82.5815404 82.7740655 82.8750915
83.0677098 83.4120161 83.5244192 83.6263707 84.2594875
84.3993964 84.7315310 84.7550609 85.2720951 85.3840376
85.5571917 85.7959960 86.2587248 86.8479648 87.0754500
87.3544675 87.4555394 87.6964677 88.0993685 88.3458692
88.4938429 89.0100017 89.2237970 89.3270811 89.7616364
90.1306687 90.6148854 90.7230784 90.8679331 91.0572243
91.3845990 91.8902280 92.2232403 92.3465266 92.9314711
93.1573077 93.6123783 93.6902970 94.4247434 94.5634807
94.9537094 95.1124923 95.5653086 95.9577160 96.1021643
96.3726680 96.7690057 97.1293180 97.1732985 97.8039406
97.9935454 98.2954360 98.7062924 99.1703680 99.5661833
99.6707710 99.9568127 100.1634736 100.6613732 101.2616819
101.8559563 101.9605851 102.1765831 103.1110185 103.1777414
103.6790198 103.9253028 104.4731429 104.7583677 105.1683758
105.8087521 106.3197380 106.7104603 107.5038564 107.8236188
107.9822792 108.3157717 108.9379263 109.2566967 109.6484643
109.8994293 110.6482364 111.0290179 111.4104053 111.9145653
112.2671108 113.2771310 113.4162068 113.5777484 114.5445341
115.2058881 115.9801532 116.7825141 117.1368647 117.4935614
117.9426359 118.0195462 118.2795863 119.4112580 120.4306894
121.0877530 121.6114779 122.3713538 122.9309145 123.5039166
124.5035711 125.9592009 126.6619875 127.5808513 128.8117637
129.1027114 129.7230206 130.6864888 130.8763158 131.9198138
134.0816261 134.3050156 135.0645554 135.6788308 136.6187993
137.7401868 138.4662819 140.4738285 140.6231027 142.0464536
144.2284127 145.1498234 147.0449544 148.9918023 150.7506246
152.7543397 154.3929424 164.8753336
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034170 0.0034234 0.0034275 0.0034331 0.0034383
0.0034496 68.2661383 95.6987536 101.5815522 102.8262918
112.8428254 130.4980123 137.2609493 150.9704983 153.2226776
157.4837888 166.0241839 169.3630679 171.2993030 186.0439673
191.4536494 197.2969180 208.7286214 210.0303898 211.6559640
215.8106983 227.5268481 235.2953594 239.1030440 243.2220994
254.6767136 257.1070944 261.1353870 271.1550992 277.1043822
280.7710524 282.4729077 292.1367049 295.1636204 299.2752261
305.5500178 305.7161118 308.8191593 312.3677993 317.0216181
324.4563789 327.9191033 331.1062179 331.6760206 336.4829726
339.2268627 343.7950864 348.7758968 351.4651668 354.7490424
357.9630117 364.4460562 365.7336197 369.0159735 371.6862886
379.3245564 380.3963558 386.8978033 389.3946225 394.7908691
396.5780816 399.3680635 403.2415574 407.2955848 409.8025066
412.6264944 415.7909631 418.5964507 419.3435195 421.8033242
423.6835801 425.4762912 427.1996452 432.3524250 434.0651718
440.7636800 443.3944967 447.3860328 448.3911789 450.8832101
453.8075971 457.6936321 459.7308320 463.0871790 465.2411329
468.5610736 471.4974376 475.2204569 478.7220910 481.0628265
483.6841423 486.5478582 490.0615271 491.6693819 494.0308442
495.7775989 499.4498750 503.1983338 504.4723109 507.4326761
510.6373758 513.7247407 514.8966018 519.0072038 520.9507188
522.6666282 524.9398584 525.9496796 530.8197306 532.1013541
534.3253671 536.2769244 539.2682865 539.4219124 541.8710942
542.6998062 547.2603704 550.0881176 552.3181086 555.2363200
556.2816414 557.6701764 558.5304775 560.0554555 564.9174765
565.3117197 569.6661893 570.5841700 571.5036106 573.1910900
575.2399203 576.5555884 578.6997167 581.2904461 582.5249873
584.0107559 587.2788713 588.0032128 588.7843809 590.0461108
590.4789706 593.5535387 594.4959121 595.6777881 597.3731682
599.7378785 601.5295988 603.1770343 605.4278076 606.3164027
608.0991011 609.8075455 612.7889649 613.0464009 615.4444508
616.8870891 617.3478038 619.7947755 621.2617824 624.0017204
625.0599995 625.9865748 628.0532113 630.0979406 630.1416005
634.2563619 635.3774421 636.3775522 639.1061134 641.3846797
643.9346623 644.4828661 645.6341301 646.7665018 648.6627453
649.3778739 649.9350791 650.8688159 651.6441523 654.1622565
655.1639256 657.2267119 657.5540212 658.7894091 660.4033007
663.0439933 664.8794382 666.5484103 669.7056676 669.9760704
671.8880983 672.5649993 676.1347601 677.4779015 679.5897987
679.7397065 681.0627688 682.6657441 683.9927364 687.1846090
687.7551342 692.2163803 692.8379787 693.8080849 695.6341187
697.1851360 697.3736833 699.2638498 699.6026557 700.7358675
703.6902203 705.0660534 706.3928883 706.8308492 708.2885981
709.6947024 710.0728145 712.1071758 713.3150134 714.4374238
714.9247635 716.0979758 717.3596013 719.0384403 720.2607723
721.3167593 723.0310347 723.7661091 725.1586932 726.2553785
727.2559900 728.0136581 729.0260093 730.6241457 732.0142095
733.0725876 735.4075189 737.9354575 739.0978683 740.0090691
741.5714475 743.2290555 745.5117114 746.1440607 747.0336283
747.5996777 749.9197422 751.0943401 752.5278785 753.8728273
755.0304189 755.2282290 756.2242512 759.1257901 761.1931092
761.3972576 764.1710663 764.9865293 766.8301038 768.0789403
769.4010638 769.7155100 771.0794912 771.8354951 773.2913408
774.2525174 775.5305664 777.6475956 779.9942693 781.4775252
781.8276234 783.3842293 783.8786192 784.7581766 787.1948981
790.2449072 790.9549906 792.4495678 793.1308612 794.6253097
795.4913528 795.8089369 797.6537429 799.3372843 801.3603208
802.0354435 803.2382569 804.2914306 805.3258938 806.8108000
809.9226021 810.9110523 811.8433404 812.8389226 814.1057786
814.9870295 816.2096627 818.5051298 819.4122347 821.9032456
822.9672125 823.6858332 826.4486412 827.0727550 828.5677438
829.7896407 831.1901963 832.4952202 833.5959775 835.4058159
836.1259184 837.4054059 839.8814241 841.3664789 842.3480553
843.6467762 844.4451517 846.2044550 847.4463260 849.1906863
850.7018086 853.6024041 854.4923721 855.0941543 855.7204398
856.6659954 857.2835847 857.7771976 858.7880717 861.0656029
861.4525729 862.5319567 865.0351643 867.1217500 868.2438186
869.1296682 870.4323937 872.5854208 874.1568932 875.6690289
876.6838001 876.8222807 878.5738161 879.5112403 881.2237984
883.0131954 883.2351885 885.0388877 886.7234338 888.7114046
890.0137313 892.6478835 893.7369065 894.7456371 895.8498984
896.4735082 897.9812152 898.5462443 899.1252541 900.8507906
902.2951470 904.3045398 906.2657567 907.5869755 908.4688775
909.5347393 911.1801528 912.3438765 913.5299972 915.3301929
916.0614267 917.3841578 918.8464867 921.3494501 923.1776902
923.8806512 925.5187211 927.2108719 927.8769211 929.0870163
930.6904068 931.3973051 933.6104260 935.0670814 936.8932709
938.6311899 939.1031307 940.1032213 942.5810108 945.5694083
946.1534683 947.2014991 949.0149662 949.4385409 950.4845197
951.7684429 955.8410681 956.5649073 957.7431248 959.7456007
960.9807694 962.4745257 963.6174745 964.3265183 964.8624203
966.0577343 968.2797639 969.7504064 970.4063843 972.0536260
973.7618022 974.3184369 976.7433656 976.9854141 980.5377052
981.4904915 984.8746411 986.8173352 987.9669657 988.5696904
989.7178402 991.7668539 992.4348641 993.0403717 996.7923285
997.6195488 999.5805733 999.7193553 1002.7640298 1003.4220125
1004.4389391 1005.8397405 1008.5485216 1011.9873949 1013.3119025
1014.9340915 1015.5210774 1016.9189274 1019.2522479 1020.6771781
1021.5316049 1024.5064219 1025.7360774 1026.3295935 1028.8229912
1030.9356950 1033.7012776 1034.3182064 1035.1436087 1036.2212256
1038.0822984 1040.9501803 1042.8346884 1043.5314992 1046.8312685
1048.1024701 1050.6593259 1051.0964955 1055.2082718 1055.9831905
1058.1597741 1059.0441392 1061.5621213 1063.7393657 1064.5397052
1066.0368600 1068.2266773 1070.2135613 1070.4558322 1073.9237743
1074.9642361 1076.6187943 1078.8664801 1081.3996951 1083.5556225
1084.1245748 1085.6791062 1086.8008483 1089.4986731 1092.7425356
1095.9443339 1096.5070789 1097.6679100 1102.6757371 1103.0324490
1105.7086869 1107.0211789 1109.9351633 1111.4492618 1113.6221583
1117.0074674 1119.7014202 1121.7569705 1125.9193995 1127.5926387
1128.4219496 1130.1631153 1133.4042378 1135.0612912 1137.0944949
1138.3950504 1142.2667322 1144.2305251 1146.1940702 1148.7845506
1150.5925386 1155.7566495 1156.4659212 1157.2892197 1162.2042661
1165.5545881 1169.4647057 1173.5029631 1175.2819816 1177.0700632
1179.3173697 1179.7018227 1181.0007643 1186.6370857 1191.6915682
1194.9380496 1197.5194154 1201.2548736 1203.9981965 1206.8009556
1211.6751035 1218.7376524 1222.1328829 1226.5578267 1232.4605979
1233.8516949 1236.8123313 1241.3968103 1242.2980707 1247.2407596
1257.4186991 1258.4657376 1262.0192426 1264.8858272 1269.2597623
1274.4582533 1277.8129809 1287.0428010 1287.7264559 1294.2270663
1304.1294198 1308.2885370 1316.8015948 1325.4900351 1333.2906708
1342.1221965 1349.3014973 1394.3542472
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 240415004939248518.eigenfacs
Openam> file on opening on unit 10:
240415004939248518.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 240415004939248518.atom
Openam> file on opening on unit 11:
240415004939248518.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 = 186
First residue number = 96
Last residue number = 1291
Number of atoms found = 186
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: 9.9015E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9385E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9625E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9950E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0025E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0091E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3952
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7766
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8751
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8966
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.080
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.444
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.598
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 1.933
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 1.991
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 2.103
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 2.338
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 2.432
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 2.488
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 2.935
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 3.108
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 3.301
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 3.695
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 3.741
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 3.799
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 3.950
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 4.390
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 4.695
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 4.848
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 5.017
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 5.500
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 5.606
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 5.783
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 6.235
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 6.512
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 6.685
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 6.766
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 7.237
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 7.388
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 7.595
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 7.917
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 7.926
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 8.088
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 8.275
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 8.523
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 8.927
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 9.119
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 9.297
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 9.329
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 9.601
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 9.759
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 10.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 10.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 10.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 10.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 10.87
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: 11.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 11.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 11.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 12.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 12.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 12.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 12.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 13.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 13.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 13.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 13.79
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: 14.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 14.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 14.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 14.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 14.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 15.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 15.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 15.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 15.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 15.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 15.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 16.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 16.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 16.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 17.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 17.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 17.46
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: 17.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 18.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 18.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 18.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 18.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 19.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 19.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 19.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 19.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 20.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 20.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 20.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 20.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 20.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 21.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 21.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 21.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 21.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 22.11
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 558 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 : 0.395200
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= 0.536 for 185 C-alpha atoms.
Bfactors> = 1.705 +/- 2.79
Bfactors> = 27.528 +/- 13.47
Bfactors> Shiftng-fct= 25.823
Bfactors> Scaling-fct= 4.819
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 240415004939248518 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=-80
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=-60
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=-40
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=-20
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=0
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=20
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=40
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=60
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=80
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=100
240415004939248518.eigenfacs
240415004939248518.atom
making animated gifs
11 models are in 240415004939248518.7.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 240415004939248518.7.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 240415004939248518.7.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 240415004939248518 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=-80
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=-60
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=-40
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=-20
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=0
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=20
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=40
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=60
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=80
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=100
240415004939248518.eigenfacs
240415004939248518.atom
making animated gifs
11 models are in 240415004939248518.8.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 240415004939248518.8.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 240415004939248518.8.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 240415004939248518 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=-80
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=-60
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=-40
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=-20
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=0
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=20
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=40
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=60
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=80
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=100
240415004939248518.eigenfacs
240415004939248518.atom
making animated gifs
11 models are in 240415004939248518.9.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 240415004939248518.9.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 240415004939248518.9.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 240415004939248518 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=-80
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=-60
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=-40
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=-20
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=0
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=20
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=40
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=60
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=80
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=100
240415004939248518.eigenfacs
240415004939248518.atom
making animated gifs
11 models are in 240415004939248518.10.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 240415004939248518.10.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 240415004939248518.10.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 240415004939248518 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=-80
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=-60
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=-40
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=-20
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=0
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=20
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=40
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=60
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=80
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=100
240415004939248518.eigenfacs
240415004939248518.atom
making animated gifs
11 models are in 240415004939248518.11.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 240415004939248518.11.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 240415004939248518.11.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 240415004939248518 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=-80
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=-60
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=-40
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=-20
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=0
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=20
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=40
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=60
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=80
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=100
240415004939248518.eigenfacs
240415004939248518.atom
making animated gifs
11 models are in 240415004939248518.12.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 240415004939248518.12.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 240415004939248518.12.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 240415004939248518 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=-80
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=-60
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=-40
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=-20
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=0
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=20
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=40
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=60
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=80
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=100
240415004939248518.eigenfacs
240415004939248518.atom
making animated gifs
11 models are in 240415004939248518.13.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 240415004939248518.13.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 240415004939248518.13.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 240415004939248518 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=-80
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=-60
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=-40
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=-20
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=0
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=20
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=40
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=60
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=80
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=100
240415004939248518.eigenfacs
240415004939248518.atom
making animated gifs
11 models are in 240415004939248518.14.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 240415004939248518.14.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 240415004939248518.14.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 240415004939248518 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=-80
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=-60
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=-40
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=-20
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=0
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=20
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=40
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=60
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=80
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=100
240415004939248518.eigenfacs
240415004939248518.atom
making animated gifs
11 models are in 240415004939248518.15.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 240415004939248518.15.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 240415004939248518.15.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 240415004939248518 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=-80
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=-60
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=-40
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=-20
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=0
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=20
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=40
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=60
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=80
240415004939248518.eigenfacs
240415004939248518.atom
calculating perturbed structure for DQ=100
240415004939248518.eigenfacs
240415004939248518.atom
making animated gifs
11 models are in 240415004939248518.16.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 240415004939248518.16.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 240415004939248518.16.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
240415004939248518.10.pdb
240415004939248518.11.pdb
240415004939248518.12.pdb
240415004939248518.13.pdb
240415004939248518.14.pdb
240415004939248518.15.pdb
240415004939248518.16.pdb
240415004939248518.7.pdb
240415004939248518.8.pdb
240415004939248518.9.pdb
STDERR:
real 0m2.490s
user 0m2.478s
sys 0m0.012s
../../bin/check_modes: error while loading shared libraries: libgfortran.so.3: cannot open shared object file: No such file or directory
mv: cannot stat 'Chkmod.res': No such file or directory
cat: 240415004939248518.Chkmod.res: No such file or directory
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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