*** ***
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 = 240415002639235721.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 240415002639235721.atom to be opened.
Openam> File opened: 240415002639235721.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 = 187
First residue number = 97
Last residue number = 1291
Number of atoms found = 188
Mean number per residue = 1.0
Pdbmat> Coordinate statistics:
= 168.041686 +/- 9.123508 From: 146.970000 To: 187.481000
= -28.304809 +/- 8.727715 From: -48.466000 To: -6.633000
= -263.503612 +/- 9.515549 From: -283.576000 To: -242.860000
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 9.8079 % Filled.
Pdbmat> 15627 non-zero elements.
Pdbmat> 1611 atom-atom interactions.
Pdbmat> Number per atom= 17.14 +/- 5.53
Maximum number = 29
Minimum number = 5
Pdbmat> Matrix trace = 32220.0
Pdbmat> Larger element = 114.973
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 188 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) = 564
Diagstd> Number of non-zero elements 15627
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 32220.0000006
%Diagstd-Wn: Nb on non-zero elements there: 564
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 564 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 32220.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.3598963 0.6509770 0.7667331 0.8818175
0.9830882 1.3880442 1.4627926 1.6851082 1.8451538
1.8597022 2.0184189 2.3015339 2.3220113 2.4680944
2.6064716 2.8724111 2.9684332 3.2924612 3.3796748
3.6164180 3.8841380 4.0323550 4.4175143 4.5037364
4.6629452 4.7451671 5.1051880 5.4276339 5.6267303
5.7948777 6.0774437 6.3664851 6.7335010 6.7828447
6.8901522 7.0808297 7.3789767 7.5766870 7.7040043
7.8325539 7.9509475 8.0146210 8.1566742 8.3823811
8.5985329 8.9415008 9.3103607 9.6764043 9.8127935
9.9496838 10.1184772 10.4516571 10.6292263 11.1410610
11.2656297 11.4101406 11.4475594 11.6909777 11.9521460
12.3346716 12.3658987 12.3877037 12.8339318 13.3242704
13.3312944 13.6197701 13.7009241 13.9005569 14.2053033
14.3059826 14.3602897 14.5582438 14.8940359 15.0079384
15.2787513 15.5638765 15.7153688 15.8753730 16.2433190
16.3113880 16.5306350 16.9392556 17.1827752 17.5223203
17.7032713 18.1569714 18.2204461 18.5608309 18.7824893
18.9828566 19.1495962 19.5277882 19.6317884 19.7106891
19.9706569 20.2150009 20.5447545 20.6362884 20.7982713
20.9174131 21.2029829 21.3887808 21.5903799 22.0592668
22.1370251 22.5185991 22.6479153 22.8445404 22.9278607
23.2135953 23.5628943 23.5758204 23.7182945 23.8847557
24.2810023 24.4330831 24.5658236 24.7487481 25.2275303
25.3648908 25.4011864 25.5171972 25.8301976 25.9025979
26.2266073 26.2738079 26.5975363 26.9143761 27.0928232
27.1127979 27.2843045 27.5166080 27.6959843 27.9416504
28.1014512 28.2201975 28.3807174 28.6234700 28.6899111
28.7600777 28.9302547 29.1160198 29.3551011 29.5424370
29.6317279 29.7756992 29.8648088 29.8746323 30.2864343
30.4617667 30.5423506 30.7317781 30.9414235 31.1282007
31.2684637 31.4298772 31.4789386 31.6453211 31.8617881
31.9743163 32.2375453 32.4336181 32.5952815 32.8525361
32.8935897 33.0036559 33.1307104 33.2283521 33.4418062
33.7713331 34.0208247 34.1993761 34.2967959 34.5210025
34.7803841 34.8732172 35.0675049 35.1784080 35.2083830
35.2636227 35.5600999 35.6680876 35.7604914 36.0119458
36.0631751 36.3635567 36.7333452 36.8190460 36.8835891
37.2065662 37.2983944 37.4142648 37.8147219 37.9617676
38.1890385 38.3446275 38.4118964 38.6348658 38.7012419
38.8765496 39.1581394 39.4425575 39.5515151 39.6945642
39.8719366 40.0925730 40.1501084 40.4427083 40.4829911
40.7139003 40.7551642 40.9991193 41.1214600 41.4937826
41.6439591 41.8575916 42.1154811 42.2171331 42.4951300
42.6551809 42.7441534 42.8704952 43.0519456 43.1181237
43.1504857 43.4544435 43.5734726 43.6824639 43.8969140
44.1349936 44.3554412 44.4855541 44.6037941 44.6660447
44.9078032 45.0316234 45.0866611 45.4471029 45.6901421
45.8219255 45.9180027 46.1510541 46.4475082 46.6036629
46.7771163 46.8423637 47.1807770 47.2336956 47.4233230
47.4839613 47.6305346 47.6619223 47.9673673 48.1656281
48.2433447 48.4617046 48.6829343 48.7997446 48.9180600
49.0804349 49.1902536 49.2617381 49.6701658 49.7978597
49.9458045 50.1520940 50.6570490 50.8806668 50.9915024
51.1309977 51.2850773 51.4961564 51.7042717 51.9401286
52.0199601 52.1289446 52.2521320 52.2850209 52.4763443
52.6237816 52.8542508 53.0246139 53.3576414 53.5064407
53.6422358 53.9488814 54.3195471 54.4215360 54.4601037
54.8037499 54.9970033 55.1716931 55.3718228 55.6683386
55.8703031 56.0283220 56.1458370 56.2112453 56.4158051
56.5790395 56.6230463 57.0468611 57.0750191 57.3985779
57.4201988 57.6929820 57.9488310 58.0687029 58.3153708
58.4761702 58.8464617 58.9379313 59.2914727 59.3515833
59.3960409 59.5447929 59.8143069 60.1523934 60.1666822
60.2853389 60.4100224 60.5887174 60.7996750 60.8972087
61.0958863 61.4643984 61.6371380 62.0412532 62.1440560
62.4954704 62.6165246 62.7589752 62.9876332 63.2175254
63.4530825 63.7821580 63.8288623 64.0572321 64.2608978
64.5052531 64.6541375 65.0201734 65.0636628 65.5726487
65.9163685 65.9691338 66.0914904 66.3665514 66.4319393
66.5547717 66.5739866 66.8261177 66.9979002 67.3393378
67.5029482 67.6275616 67.8819103 68.0390259 68.1451305
68.3365954 68.6063623 68.7175705 68.9353745 69.1153710
69.2522048 69.4149024 69.6402248 69.8781668 69.9730019
70.3059770 70.5397587 70.9095812 70.9541118 71.3128217
71.4182310 71.5262237 71.7777573 72.1779899 72.4729516
72.7885714 72.9851026 73.3251844 73.3783333 73.7766462
74.0302503 74.1115069 74.4951915 74.6550468 74.7585962
74.8300536 75.4196654 75.4970396 75.6785800 75.8264932
76.1877212 76.4880383 76.7388424 76.9364785 77.0842700
77.4610185 77.7027779 77.9018057 78.0584452 78.4249653
78.5177122 79.1706162 79.2481722 79.3151652 79.5428092
80.0583271 80.3127899 80.4145313 80.7115803 80.9122710
81.0843463 81.3784072 81.6560224 81.8519964 82.0738579
82.5762098 83.0941105 83.3165781 83.5400741 83.6771284
83.9240952 84.0291841 84.4501449 84.5452901 84.8858566
85.3508037 85.7049149 86.0743741 86.3735414 86.9053821
86.9364740 87.4574974 87.8187990 88.1757554 88.4155849
88.6921853 88.7494562 89.1713342 89.2698513 89.6228300
90.0071018 90.2556045 90.3984977 90.5824166 90.8356070
91.2220746 91.6406113 91.8143600 92.1705051 92.6098626
92.7496905 93.0236592 93.3893280 93.5974981 94.0365110
94.4508669 94.5469335 94.9540533 95.4451616 95.5149639
95.5668479 96.2885122 96.4701294 96.7895066 96.9715112
97.3531050 97.8178987 98.1931720 98.5192864 98.9071996
99.3828841 99.8912072 100.0007915 100.7751249 100.9515433
101.2190003 101.6871873 101.9379736 102.4400863 102.7853050
103.3553696 104.1561193 104.2405859 104.5138713 105.3206859
105.4185559 105.6001376 106.2483928 106.6775185 106.9945730
107.2352232 108.1557674 108.5067126 108.8062148 108.9712807
109.3537425 109.8916615 110.3791626 110.7931379 111.3078150
112.1913076 112.6646057 112.7591024 112.9673271 113.6328025
113.7778576 114.8759104 115.2867149 116.1618837 116.5107664
117.2558438 117.3740442 118.0124571 118.6698747 118.9312639
119.5728377 120.2316739 120.5192812 121.8894485 122.4591892
122.9595952 123.5141729 123.9790867 124.8650637 125.7097734
126.1283167 128.1670124 129.0355261 129.7509344 130.3321331
130.3552012 131.8951748 132.7047092 133.8994336 134.5695670
135.9804575 136.6471891 138.1818444 139.1577291 139.6161987
140.0871972 141.4220325 142.1032408 142.8116189 144.3910170
146.8822782 147.0510792 148.8026234 152.3270268 153.8954976
155.1655101 157.8797310 158.4374234 174.4682127
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034255 0.0034306 0.0034318 0.0034380 0.0034444
0.0034513 65.1454358 87.6149249 95.0861739 101.9728691
107.6692108 127.9372273 131.3368686 140.9643128 147.5066405
148.0870159 154.2769099 164.7418603 165.4731176 170.5988763
175.3160899 184.0426912 187.0935960 197.0405510 199.6331843
206.5069116 214.0142091 218.0593222 228.2360614 230.4526783
234.4905980 236.5489562 245.3585245 252.9883670 257.5866371
261.4071237 267.7045493 273.9965804 281.7836200 282.8142038
285.0425463 288.9597515 294.9805283 298.9062198 301.4071421
303.9113899 306.1996744 307.4232957 310.1357543 314.3974256
318.4252212 324.7136095 331.3435599 337.7942745 340.1665531
342.5310293 345.4242790 351.0652610 354.0349255 362.4587232
364.4794247 366.8096721 367.4106430 371.2963642 375.4207090
381.3810197 381.8634768 382.2000023 389.0228795 396.3848065
396.4892708 400.7561257 401.9483137 404.8660688 409.2800117
410.7278262 411.5066725 414.3332381 419.0843836 420.6838114
424.4623855 428.4046417 430.4845498 432.6704634 437.6557783
438.5718370 441.5094958 446.9330187 450.1341209 454.5598656
456.9009310 462.7186291 463.5267302 467.8363762 470.6215991
473.1251823 475.1985327 479.8680201 481.1441533 482.1100489
485.2789528 488.2386572 492.2047023 493.2999535 495.2322284
496.6486586 500.0273529 502.2133986 504.5746436 510.0242398
510.9223590 515.3069086 516.7844012 519.0228674 519.9685153
523.1984930 527.1201255 527.2646884 528.8554802 530.7080586
535.0921568 536.7652797 538.2213789 540.2215413 545.4219961
546.9048547 547.2960090 548.5443743 551.8984124 552.6713382
556.1172126 556.6174152 560.0360521 563.3618566 565.2263650
565.4346891 567.2202464 569.6298364 571.4834820 574.0124438
575.6515179 576.8664804 578.5047978 580.9736310 581.6475209
582.3583516 584.0787536 585.9509778 588.3517785 590.2261394
591.1174346 592.5517222 593.4377235 593.5353158 597.6120597
599.3393937 600.1316192 601.9897890 604.0396199 605.8600125
607.2234744 608.7887556 609.2637237 610.8717392 612.9574853
614.0389401 616.5613019 618.4334615 619.9728175 622.4145422
622.8033154 623.8444353 625.0440920 625.9644685 627.9718028
631.0581533 633.3848903 635.0448108 635.9486577 638.0239476
640.4164324 641.2705382 643.0543988 644.0704450 644.3447882
644.8500578 647.5551567 648.5376481 649.3771751 651.6562643
652.1196109 654.8298341 658.1509618 658.9182645 659.4955472
662.3767438 663.1936336 664.2229666 667.7682030 669.0652795
671.0650833 672.4307134 673.0202854 674.9707988 675.5503622
677.0786767 679.5263534 681.9896973 682.9310242 684.1649150
685.6917831 687.5863471 688.0795355 690.5822251 690.9260653
692.8937348 693.2447730 695.3165138 696.3531476 699.4985100
700.7631976 702.5583474 704.7192961 705.5692563 707.8885066
709.2203271 709.9596066 711.0080702 712.5111614 713.0585759
713.3261160 715.8340896 716.8138147 717.7097458 719.4693137
721.4177343 723.2171765 724.2771477 725.2390521 725.7449597
727.7063849 728.7089138 729.1540928 732.0628731 734.0177032
735.0754999 735.8457316 737.7107172 740.0762889 741.3192986
742.6975699 743.2153678 745.8952209 746.3134072 747.8100054
748.2879494 749.4419658 749.6888596 752.0872421 753.6399188
754.2476837 755.9527013 757.6762143 758.5846573 759.5036983
760.7631739 761.6138116 762.1670081 765.3200389 766.3031641
767.4406279 769.0238620 772.8856138 774.5896277 775.4328308
776.4927655 777.6618377 779.2605452 780.8335997 782.6125189
783.2137215 784.0337288 784.9595687 785.2065673 786.6418848
787.7461822 789.4692901 790.7405997 793.2198838 794.3251464
795.3324743 797.6024927 800.3378394 801.0888335 801.3726425
803.8970186 805.3131550 806.5911198 808.0527088 810.2133791
811.6817735 812.8288095 813.6807855 814.1546047 815.6346651
816.8137983 817.1313928 820.1837429 820.3861371 822.7082386
822.8631733 824.8154245 826.6422908 827.4968377 829.2525218
830.3950296 833.0200556 833.6672183 836.1638719 836.5876227
836.9008889 837.9482048 839.8424408 842.2126036 842.3126285
843.1427957 844.0142492 845.2616393 846.7318754 847.4107591
848.7919753 851.3479563 852.5434318 855.3336558 856.0420100
858.4589862 859.2900042 860.2668781 861.8326147 863.4039398
865.0110245 867.2511511 867.5686140 869.1192410 870.4997983
872.1532873 873.1592142 875.6273981 875.9201848 879.3396241
881.6412807 881.9940819 882.8116445 884.6467897 885.0824830
885.9003623 886.0282361 887.7044476 888.8446772 891.1066833
892.1885614 893.0116910 894.6894328 895.7242333 896.4223871
897.6808263 899.4509330 900.1796246 901.6050800 902.7813988
903.6746146 904.7355158 906.2027220 907.7495281 908.3652949
910.5240140 912.0365965 914.4242618 914.7113423 917.0205976
917.6980831 918.3916544 920.0050741 922.5664814 924.4496340
926.4604371 927.7103286 929.8691986 930.2061397 932.7273994
934.3291299 934.8417556 937.2585283 938.2635961 938.9140740
939.3626935 943.0562140 943.5398377 944.6735758 945.5963040
947.8459796 949.7122540 951.2680318 952.4922097 953.4066179
955.7336601 957.2239425 958.4490749 959.4121817 961.6619838
962.2304558 966.2228256 966.6959686 967.1044841 968.4913420
971.6246757 973.1675890 973.7838055 975.5807124 976.7928583
977.8309747 979.6024731 981.2719636 982.4487822 983.7793546
986.7854854 989.8751049 991.1993134 992.5278650 993.3416928
994.8064997 995.4291482 997.9194329 998.4814240 1000.4904510
1003.2267131 1005.3056984 1007.4702187 1009.2195239 1012.3218642
1012.5029362 1015.5324454 1017.6279506 1019.6940252 1021.0798182
1022.6757502 1023.0058813 1025.4344709 1026.0007684 1028.0272034
1030.2287593 1031.6499702 1032.4663040 1033.5160652 1034.9594675
1037.1587910 1039.5353660 1040.5203682 1042.5364883 1045.0183105
1045.8069288 1047.3503681 1049.4068761 1050.5758186 1053.0367646
1055.3542285 1055.8907959 1058.1616903 1060.8946008 1061.2824638
1061.5706706 1065.5713091 1066.5757635 1068.3398256 1069.3438154
1071.4457439 1074.0004044 1076.0586054 1077.8440011 1079.9638867
1082.5577618 1085.3227616 1085.9179174 1090.1140896 1091.0678570
1092.5122167 1095.0360015 1096.3854874 1099.0823864 1100.9327593
1103.9815172 1108.2498353 1108.6991183 1110.1514938 1114.4282680
1114.9459429 1115.9057680 1119.3256729 1121.5838126 1123.2492966
1124.5117827 1129.3280674 1131.1588125 1132.7188593 1133.5777365
1135.5652806 1138.3548183 1140.8770076 1143.0144258 1145.6662227
1150.2040305 1152.6276428 1153.1109212 1154.1751164 1157.5696701
1158.3082676 1163.8841753 1165.9633848 1170.3805703 1172.1368232
1175.8787129 1176.4712392 1179.6663918 1182.9476399 1184.2497384
1187.4396552 1190.7065074 1192.1298066 1198.8872352 1201.6859130
1204.1386395 1206.8510636 1209.1202557 1213.4328608 1217.5303671
1219.5555307 1229.3722638 1233.5306036 1236.9453927 1239.7126477
1239.8223539 1247.1242791 1250.9456681 1256.5641070 1259.7045783
1266.2910264 1269.3916331 1276.4998640 1280.9994603 1283.1079178
1285.2703930 1291.3792906 1294.4857429 1297.7082078 1304.8643558
1316.0730024 1316.8290184 1324.6482627 1340.2436645 1347.1260594
1352.6731733 1364.4526499 1366.8604135 1434.3443808
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 240415002639235721.eigenfacs
Openam> file on opening on unit 10:
240415002639235721.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 240415002639235721.atom
Openam> file on opening on unit 11:
240415002639235721.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 = 187
First residue number = 97
Last residue number = 1291
Number of atoms found = 188
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: 9.9510E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9807E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9876E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0024E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0061E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0101E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3599
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6510
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7667
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8818
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9831
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.388
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.463
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 1.685
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 1.845
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 1.860
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 2.018
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 2.302
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 2.322
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 2.468
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 2.606
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 2.872
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 2.968
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 3.292
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 3.380
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 3.616
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 3.884
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 4.032
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 4.418
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 4.504
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 4.663
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 4.745
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 5.105
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 5.428
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 5.627
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 5.795
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 6.077
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 6.366
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 6.734
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 6.783
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 6.890
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 7.081
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 7.379
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 7.577
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 7.704
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 7.833
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 7.951
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 8.015
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 8.157
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 8.382
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 8.599
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 8.942
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 9.310
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 9.676
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 9.813
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 9.950
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 10.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 10.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 10.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 11.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 11.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 11.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 11.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 11.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 11.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 12.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 12.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 12.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 12.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 13.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 13.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 13.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 13.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 13.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 14.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 14.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 14.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 14.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 14.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 15.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 15.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 15.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 15.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 15.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 16.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 16.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 16.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 16.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 17.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 17.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 17.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 18.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 18.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 18.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 18.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 18.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 19.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 19.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 19.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 19.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 19.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 20.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 20.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 20.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 20.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 20.92
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 564 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 : 0.359900
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= 0.517 for 187 C-alpha atoms.
Bfactors> = 1.872 +/- 3.11
Bfactors> = 29.908 +/- 13.17
Bfactors> Shiftng-fct= 28.036
Bfactors> Scaling-fct= 4.235
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 240415002639235721 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=-80
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=-60
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=-40
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=-20
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=0
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=20
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=40
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=60
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=80
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=100
240415002639235721.eigenfacs
240415002639235721.atom
making animated gifs
11 models are in 240415002639235721.7.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 240415002639235721.7.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 240415002639235721.7.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 240415002639235721 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=-80
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=-60
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=-40
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=-20
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=0
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=20
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=40
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=60
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=80
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=100
240415002639235721.eigenfacs
240415002639235721.atom
making animated gifs
11 models are in 240415002639235721.8.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 240415002639235721.8.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 240415002639235721.8.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 240415002639235721 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=-80
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=-60
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=-40
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=-20
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=0
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=20
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=40
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=60
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=80
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=100
240415002639235721.eigenfacs
240415002639235721.atom
making animated gifs
11 models are in 240415002639235721.9.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 240415002639235721.9.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 240415002639235721.9.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 240415002639235721 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=-80
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=-60
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=-40
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=-20
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=0
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=20
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=40
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=60
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=80
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=100
240415002639235721.eigenfacs
240415002639235721.atom
making animated gifs
11 models are in 240415002639235721.10.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 240415002639235721.10.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 240415002639235721.10.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 240415002639235721 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=-80
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=-60
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=-40
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=-20
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=0
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=20
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=40
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=60
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=80
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=100
240415002639235721.eigenfacs
240415002639235721.atom
making animated gifs
11 models are in 240415002639235721.11.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 240415002639235721.11.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 240415002639235721.11.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 240415002639235721 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=-80
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=-60
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=-40
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=-20
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=0
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=20
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=40
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=60
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=80
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=100
240415002639235721.eigenfacs
240415002639235721.atom
making animated gifs
11 models are in 240415002639235721.12.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 240415002639235721.12.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 240415002639235721.12.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 240415002639235721 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=-80
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=-60
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=-40
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=-20
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=0
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=20
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=40
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=60
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=80
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=100
240415002639235721.eigenfacs
240415002639235721.atom
making animated gifs
11 models are in 240415002639235721.13.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 240415002639235721.13.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 240415002639235721.13.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 240415002639235721 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=-80
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=-60
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=-40
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=-20
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=0
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=20
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=40
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=60
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=80
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=100
240415002639235721.eigenfacs
240415002639235721.atom
making animated gifs
11 models are in 240415002639235721.14.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 240415002639235721.14.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 240415002639235721.14.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 240415002639235721 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=-80
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=-60
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=-40
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=-20
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=0
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=20
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=40
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=60
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=80
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=100
240415002639235721.eigenfacs
240415002639235721.atom
making animated gifs
11 models are in 240415002639235721.15.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 240415002639235721.15.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 240415002639235721.15.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 240415002639235721 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=-80
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=-60
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=-40
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=-20
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=0
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=20
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=40
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=60
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=80
240415002639235721.eigenfacs
240415002639235721.atom
calculating perturbed structure for DQ=100
240415002639235721.eigenfacs
240415002639235721.atom
making animated gifs
11 models are in 240415002639235721.16.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 240415002639235721.16.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 240415002639235721.16.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
240415002639235721.10.pdb
240415002639235721.11.pdb
240415002639235721.12.pdb
240415002639235721.13.pdb
240415002639235721.14.pdb
240415002639235721.15.pdb
240415002639235721.16.pdb
240415002639235721.7.pdb
240415002639235721.8.pdb
240415002639235721.9.pdb
STDERR:
real 0m2.676s
user 0m2.668s
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: 240415002639235721.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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