*** ***
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 = 2404131317303932550.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 2404131317303932550.atom to be opened.
Openam> File opened: 2404131317303932550.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 = 97
Last residue number = 290
Number of atoms found = 187
Mean number per residue = 1.0
Pdbmat> Coordinate statistics:
= 168.121679 +/- 9.081541 From: 146.970000 To: 187.481000
= -28.282749 +/- 8.745876 From: -48.466000 To: -6.633000
= -263.531021 +/- 9.533291 From: -283.576000 To: -242.860000
Pdbmat> Masses are all set to one.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijf
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 9.7950 % Filled.
Pdbmat> 15441 non-zero elements.
Pdbmat> 1591 atom-atom interactions.
Pdbmat> Number per atom= 17.02 +/- 5.48
Maximum number = 28
Minimum number = 5
Pdbmat> Matrix trace = 31820.0
Pdbmat> Larger element = 114.972
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 187 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) = 561
Diagstd> Number of non-zero elements 15441
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 31820.0000006
%Diagstd-Wn: Nb on non-zero elements there: 561
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 561 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 31820.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.3597018 0.6510692 0.7658538 0.8816994
0.9825303 1.3881463 1.4641177 1.6590223 1.8405766
1.8547744 2.0184275 2.2879608 2.3023640 2.3310413
2.6060718 2.8626338 2.9148943 3.2810251 3.3758248
3.6089862 3.8802141 4.0284281 4.4077689 4.4891260
4.6376528 4.7387986 4.8000307 5.2622782 5.4300046
5.6929080 6.0104887 6.2132784 6.3603265 6.7703644
6.8645719 7.0671118 7.3024673 7.4634238 7.6737804
7.8080364 7.8931984 8.0185665 8.1551459 8.3123697
8.5354633 8.8985914 9.3004717 9.6381895 9.7951384
9.9466952 10.1085274 10.4373557 10.5978684 11.1117919
11.2412375 11.3423922 11.4480422 11.7047965 11.9287304
12.2707758 12.3280029 12.3676239 12.8210570 13.3074279
13.3168642 13.6059573 13.6741097 13.8306125 14.1669761
14.2299047 14.3432581 14.5137997 14.8343597 14.9540401
15.0317677 15.5186491 15.6393607 15.8381874 16.1761234
16.2540602 16.4422331 16.9388946 17.0878016 17.4758493
17.6874466 18.0675465 18.1818342 18.5599494 18.7512011
18.8660884 19.1231854 19.4301755 19.5482901 19.6454024
19.9151627 20.2315952 20.5268687 20.6256646 20.7738519
20.9267298 21.1829970 21.4109106 21.6021852 21.9378788
22.1017586 22.5050668 22.6015498 22.6622899 22.8264190
23.1877299 23.5539049 23.5810098 23.7145407 23.8812518
24.2199093 24.4535661 24.5678938 24.7278679 25.1902595
25.2979037 25.3430804 25.4525105 25.7485346 25.8487808
26.1334196 26.2444966 26.5690781 26.8342182 26.9159041
27.0210723 27.2086709 27.4860338 27.5204992 27.7351400
27.9686900 28.0946461 28.2998835 28.4775407 28.6564673
28.7238377 28.9001955 29.0522250 29.2348203 29.4418090
29.6309849 29.6968279 29.7598376 29.8438764 30.0261035
30.3707704 30.4195973 30.5864681 30.8007503 30.9377007
31.0225041 31.2409893 31.3800722 31.6009388 31.6480247
31.9527507 32.1606481 32.2502930 32.5022042 32.6800737
32.7718675 32.9525150 33.0782697 33.1721926 33.3423976
33.7935186 33.9258223 34.0860411 34.2474260 34.5628886
34.7169755 34.8416463 35.0150989 35.1246833 35.1631482
35.2639625 35.3764747 35.6543624 35.7155455 35.9121054
36.0421944 36.3742189 36.6554272 36.7268783 36.7519612
37.1856193 37.3177649 37.4378234 37.7788267 37.8699189
38.1899371 38.3045482 38.4497485 38.5537988 38.7849772
38.8995757 39.2209911 39.4213293 39.4997257 39.6142709
39.9681249 40.1074225 40.2404500 40.4242918 40.5937448
40.7163583 40.9327324 41.0418991 41.2698367 41.4175900
41.6652023 41.7741111 41.9969884 42.0168576 42.1681473
42.4026989 42.5094936 42.6599352 42.8249946 43.0134236
43.1031754 43.2847507 43.4941334 43.7551904 43.7852244
43.9423449 44.0806908 44.3102940 44.5431946 44.6740618
44.7640338 44.9605384 45.2523255 45.5205769 45.6042634
45.8715591 45.9035774 46.1614825 46.3823736 46.5099087
46.5649723 46.7901437 46.9344548 47.1888975 47.2979089
47.4090570 47.5698250 47.6880076 47.7420359 47.9138886
48.1970734 48.3594062 48.5908877 48.6673686 48.8407664
49.0826888 49.1367987 49.3604524 49.6288343 49.8444539
50.0085567 50.4374223 50.5568989 50.7190019 50.8337940
50.9383595 51.1319252 51.2894947 51.6584844 51.8870106
51.9817303 52.1137228 52.1306220 52.3469948 52.4300155
52.6457271 52.8401834 52.9499777 53.2210078 53.4569858
53.5503698 53.7307627 53.9570170 54.2297856 54.4361232
54.4724573 54.8139534 54.9309966 55.0747470 55.5173659
55.7160773 55.9787874 56.0763229 56.2674226 56.3413128
56.4367884 56.6638481 57.0161559 57.0458902 57.1805047
57.4161328 57.5483547 57.8103394 58.0647797 58.2163810
58.3570968 58.8029691 59.0321718 59.1627665 59.2601549
59.4085233 59.5399884 59.6703892 60.0072985 60.0882790
60.1972298 60.3664954 60.4785971 60.7095180 60.9565653
61.2198087 61.3801738 61.8541359 61.9432753 62.1467595
62.3322438 62.4716491 62.6928559 63.0466047 63.2893806
63.5186626 63.6815412 63.7498793 63.9616545 64.3883864
64.4525112 64.5994371 64.9191613 65.1539806 65.5621826
65.7520388 65.8832026 66.0846111 66.2798763 66.3399211
66.4817928 66.6017754 66.8546832 66.9271457 67.2922670
67.4938715 67.5547192 67.7284294 67.9350302 68.1936099
68.3856196 68.5393331 68.6401184 68.9115924 69.0025172
69.1332006 69.3003757 69.5736980 69.7100007 69.9823263
70.5108979 70.7974919 71.0616738 71.2207474 71.3465600
71.5184004 71.7267846 71.8249060 71.8850581 72.5915420
72.6673025 73.1416596 73.2705422 73.5024981 73.6930103
73.8376659 74.0507844 74.4763996 74.5328026 74.8549602
74.9612574 75.2290893 75.4990149 75.8825638 76.0964298
76.2454116 76.6684362 76.7723967 76.9996927 77.1619819
77.3718823 77.6841234 77.8658339 78.2761707 78.5044440
79.0200641 79.0592765 79.2060159 79.3987534 79.7607490
79.9239717 80.0301968 80.1874506 80.5478096 80.8619856
80.9245977 81.5486986 81.7003201 81.7978983 82.1540429
82.7518305 83.0705769 83.2372777 83.4188857 83.6654522
84.0103216 84.2480991 84.3698653 84.9583917 85.4405932
85.7241539 85.9488902 86.2861302 86.4164637 86.9017232
87.4848772 87.7064217 87.8621575 88.2820587 88.4524501
88.6405512 88.9790483 89.0540524 89.7066534 89.9042401
90.0321651 90.3308049 90.5882714 90.9327677 91.1934945
91.3823265 91.6298623 91.8815958 92.1331978 92.4121068
92.5560653 92.9595332 93.4473030 93.7763438 94.0552725
94.5723434 94.6781266 95.0178481 95.1920387 95.9048227
96.1336096 96.2785265 96.5334889 96.9488301 97.2219192
97.7120100 98.0897777 98.5429182 98.8820477 99.6171533
99.7659317 99.9488609 100.5063928 100.6756440 101.2394218
101.4338060 102.0129229 102.1328862 102.6176699 103.1868490
103.4732360 103.6188792 104.9515590 105.0366387 105.4206082
105.5581376 105.9966432 106.4814079 106.8908994 107.7776123
107.8888746 108.3882573 108.5659548 109.2840691 109.3962199
110.1172727 110.7831835 111.1128888 111.7359350 112.0384975
112.3498389 112.6738961 112.8399515 113.1656248 114.6358376
115.1527404 115.9399844 116.2117216 117.0129467 117.4478842
118.0384729 118.2982015 119.0225657 119.4402307 119.6900619
120.2919920 120.9076792 121.7755257 122.0278096 122.9627092
123.7380663 124.8990315 125.6494234 126.9484050 128.1544397
128.6126797 128.8634856 129.8387350 130.3193750 131.5705571
132.2917365 132.9171173 134.7016430 135.7202986 136.6281966
136.7919611 138.4327294 138.9504915 139.2186848 140.4537063
141.5165800 143.8366313 145.5690914 146.4085993 148.3708420
149.2772477 150.9627882 154.5433286 156.6451585 157.8942180
170.8239507
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034263 0.0034277 0.0034347 0.0034363 0.0034395
0.0034489 65.1278244 87.6211340 95.0316371 101.9660381
107.6386555 127.9419322 131.3963430 139.8689737 147.3235678
147.8906884 154.2772372 164.2553660 164.7715673 165.7945555
175.3026455 183.7291969 185.3987011 196.6980505 199.5194446
206.2946147 213.9060772 217.9531178 227.9841689 230.0785746
233.8537806 236.3901660 237.9125141 249.1048492 253.0436129
259.0969879 266.2258198 270.6797000 273.8640241 282.5538982
284.5129300 288.6797103 293.4472813 296.6636472 300.8153287
303.4353652 305.0856561 307.4989568 310.1066996 313.0817166
317.2552598 323.9335361 331.1675440 337.1265919 339.8604027
342.4795827 345.2544034 350.8249900 353.5123092 361.9822961
364.0846276 365.7190733 367.4183903 371.5157357 375.0527824
380.3919270 381.2779104 381.8901131 388.8276996 396.1342019
396.2746271 400.5528552 401.5547895 403.8461878 408.7275017
409.6342633 411.2625721 413.7003067 418.2439648 419.9277266
421.0176548 427.7817338 429.4422580 432.1634355 436.7495904
437.8004585 440.3273697 446.9282563 448.8883938 453.9566956
456.6966762 461.5777550 463.0353269 467.8252676 470.2294511
471.6677829 474.8707259 478.6671705 480.1198575 481.3109534
484.6042395 488.4390114 491.9904041 493.1729590 494.9414154
496.7592506 499.7916349 502.4731378 504.7125722 508.6190203
510.5152215 515.1520511 516.2551415 516.9483765 518.8169697
522.9069286 527.0195656 527.3227153 528.8136284 530.6691294
534.4185652 536.9902265 538.2440569 539.9936042 545.0189481
546.1822073 546.6696717 547.8486461 551.0252989 552.0969044
555.1283421 556.3068452 559.7363651 562.5223129 563.3778478
564.4774148 566.4335175 569.3132853 569.6701107 571.8873119
574.2901172 575.5818137 577.6803617 579.4907671 581.3084094
581.9913268 583.7752398 585.3087004 587.1451726 589.2200623
591.1100240 591.7664123 592.3938739 593.2297143 595.0380925
598.4435417 598.9244057 600.5648987 602.6649411 604.0032802
604.8305309 606.9566431 608.3062095 610.4432176 610.8978336
613.8318310 615.8255116 616.6831931 619.0870046 620.7786812
621.6499107 623.3609084 624.5492228 625.4352712 627.0377582
631.2654012 632.4999156 633.9916852 635.4907720 638.4109043
639.8323909 640.9801997 642.5737186 643.5784430 643.9307372
644.8531654 645.8810712 648.4128565 648.9689589 650.7523032
651.9298892 654.9258291 657.4525637 658.0930258 658.3177125
662.1902620 663.3658223 664.4320540 667.4511919 668.2553862
671.0729788 672.0791963 673.3518099 674.2622859 676.2807891
677.2791597 680.0714795 681.8061478 682.4837580 683.4726085
686.5183768 687.7136699 688.8532232 690.4249711 691.8705405
692.9146507 694.7533478 695.6791776 697.6083263 698.8559911
700.9419099 701.8574095 703.7272279 703.8936778 705.1597908
707.1182243 708.0081325 709.2598501 710.6306562 712.1923199
712.9349625 714.4350300 716.1609246 718.3069512 718.5534352
719.8415230 720.9737892 722.8490190 724.7462233 725.8100887
726.5405993 728.1335321 730.4924497 732.6543946 733.3275528
735.4735027 735.7301382 737.7940598 739.5571923 740.5732549
741.0115117 742.8009826 743.9455816 745.9594078 746.8205341
747.6975174 748.9641964 749.8939835 750.3186611 751.6678748
753.8858890 755.1544047 756.9595922 757.5550763 758.9034297
760.7806415 761.1998769 762.9302699 765.0015539 766.6615830
767.9225853 771.2083476 772.1212295 773.3580840 774.2327580
775.0286502 776.4998084 777.6953286 780.4877845 782.2122360
782.9258745 783.9192509 784.0463432 785.6717853 786.2945641
787.9104210 789.3642229 790.1838896 792.2036288 793.9579723
794.6511523 795.9884809 797.6626305 799.6762983 801.1961885
801.4635282 803.9718513 804.8297467 805.8821484 809.1139828
810.5607064 812.4694194 813.1769204 814.5613346 815.0959993
815.7863344 817.4257464 819.9629832 820.1767638 821.1439030
822.8340390 823.7809341 825.6539062 827.4688838 828.5483989
829.5491433 832.7121624 834.3334600 835.2558332 835.9430119
836.9888241 837.9143984 838.8314708 841.1962306 841.7636411
842.5264292 843.7101268 844.4931562 846.1038527 847.8236447
849.6523525 850.7644561 854.0428329 854.6580012 856.0606303
857.3371847 858.2953618 859.8135939 862.2359612 863.8944881
865.4579125 866.5668333 867.0316749 868.4706076 871.3628720
871.7966618 872.7897700 874.9469681 876.5279261 879.2694454
880.5416281 881.4194537 882.7656986 884.0689241 884.4692850
885.4145237 886.2131366 887.8941570 888.3752119 890.7951832
892.1285757 892.5306251 893.6774151 895.0394271 896.7411942
898.0027640 899.0114383 899.6721818 901.4495435 902.0440525
902.8978355 903.9888521 905.7697746 906.6565926 908.4258161
911.8500007 913.7012446 915.4044019 916.4284090 917.2374945
918.3414281 919.6783473 920.3071863 920.6924766 925.2056819
925.6883533 928.7047898 929.5226628 930.9928164 932.1985630
933.1130433 934.4587006 937.1403058 937.4950996 939.5190102
940.1858524 941.8639676 943.5521810 945.9458539 947.2779340
948.2047725 950.8315480 951.4759815 952.8834326 953.8870817
955.1836091 957.1090330 958.2277631 960.7492762 962.1491516
965.3036958 965.5431744 966.4388161 967.6139530 969.8172223
970.8090336 971.4539595 972.4079110 974.5904414 976.4892825
976.8672613 980.6268891 981.5380939 982.1240651 984.2598068
987.8342613 989.7349204 990.7274915 991.8076929 993.2723855
995.3174174 996.7249635 997.4450013 1000.9178205 1003.7542742
1005.4185271 1006.7355783 1008.7087226 1009.4702523 1012.3005535
1015.6913963 1016.9766384 1017.8791348 1020.3085037 1021.2926673
1022.3780207 1024.3282694 1024.7599022 1028.5078428 1029.6399089
1030.3721874 1032.0796627 1033.5494654 1035.5128321 1036.9963060
1038.0693911 1039.4743981 1040.9012857 1042.3254763 1043.9019672
1044.7147396 1046.9893100 1049.7325553 1051.5790573 1053.1418064
1056.0326737 1056.6231176 1058.5170932 1059.4869074 1063.4461509
1064.7138536 1065.5160547 1066.9259585 1069.2187513 1070.7236002
1073.4189395 1075.4919286 1077.9732648 1079.8265616 1083.8329345
1084.6419856 1085.6359210 1088.6596422 1089.5758995 1092.6224216
1093.6708605 1096.7884691 1097.4331702 1100.0346235 1103.0811306
1104.6108276 1105.3879486 1112.4736353 1112.9244610 1114.9567962
1115.6838330 1117.9987968 1120.5524066 1122.7049720 1127.3520509
1127.9338017 1130.5412082 1131.4675639 1135.2034672 1135.7858089
1139.5227591 1142.9630768 1144.6626174 1147.8673792 1149.4204463
1151.0163884 1152.6751653 1153.5242415 1155.1876654 1162.6673706
1165.2857059 1169.2621707 1170.6316121 1174.6601572 1176.8412399
1179.7964129 1181.0936954 1184.7042168 1186.7810336 1188.0215706
1191.0051481 1194.0492022 1198.3268402 1199.5674925 1204.1538871
1207.9443941 1213.5978981 1217.2380796 1223.5138916 1229.3119640
1231.5078196 1232.7080082 1237.3638338 1239.6519687 1245.5886352
1248.9977005 1251.9464042 1260.3226077 1265.0791074 1269.3034142
1270.0638889 1277.6581543 1280.0452546 1281.2799896 1286.9506163
1291.8108938 1302.3569497 1310.1766823 1313.9491951 1322.7249967
1326.7591451 1334.2285651 1349.9584797 1359.1073733 1364.5152494
1419.2851577
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404131317303932550.eigenfacs
Openam> file on opening on unit 10:
2404131317303932550.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404131317303932550.atom
Openam> file on opening on unit 11:
2404131317303932550.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 = 97
Last residue number = 290
Number of atoms found = 187
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: 9.9556E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9637E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0004E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0014E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0032E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0087E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3597
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6511
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7659
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8817
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9825
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: 1.464
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 1.659
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 1.841
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 1.855
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: 2.288
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 2.302
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 2.331
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: 2.863
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 2.915
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 3.281
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 3.376
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 3.609
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 3.880
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 4.028
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 4.408
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 4.489
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 4.638
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 4.739
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 4.800
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 5.262
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 5.430
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 5.693
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 6.010
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 6.213
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 6.360
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 6.770
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 6.865
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 7.067
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 7.302
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 7.463
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 7.674
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 7.808
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 7.893
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 8.019
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 8.155
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 8.312
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 8.535
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 8.899
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 9.300
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 9.638
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 9.795
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 9.947
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 10.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 10.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 10.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 11.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 11.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 11.34
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: 11.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 11.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 12.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 12.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 12.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 12.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 13.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 13.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 13.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 13.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 13.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 14.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 14.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 14.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 14.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 14.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 14.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 15.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 15.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 15.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 15.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 16.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 16.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 16.44
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: 17.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 17.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 17.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 18.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 18.18
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: 18.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 18.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 19.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 19.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 19.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 19.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 19.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 20.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 20.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 20.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 20.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 20.93
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 561 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 : 0.359700
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= 0.520 for 187 C-alpha atoms.
Bfactors> = 1.885 +/- 3.12
Bfactors> = 29.733 +/- 13.35
Bfactors> Shiftng-fct= 27.848
Bfactors> Scaling-fct= 4.280
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404131317303932550 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=-80
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=-60
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=-40
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=-20
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=0
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=20
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=40
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=60
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=80
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=100
2404131317303932550.eigenfacs
2404131317303932550.atom
making animated gifs
11 models are in 2404131317303932550.7.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 2404131317303932550.7.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 2404131317303932550.7.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 2404131317303932550 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=-80
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=-60
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=-40
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=-20
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=0
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=20
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=40
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=60
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=80
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=100
2404131317303932550.eigenfacs
2404131317303932550.atom
making animated gifs
11 models are in 2404131317303932550.8.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 2404131317303932550.8.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 2404131317303932550.8.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 2404131317303932550 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=-80
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=-60
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=-40
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=-20
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=0
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=20
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=40
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=60
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=80
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=100
2404131317303932550.eigenfacs
2404131317303932550.atom
making animated gifs
11 models are in 2404131317303932550.9.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 2404131317303932550.9.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 2404131317303932550.9.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 2404131317303932550 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=-80
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=-60
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=-40
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=-20
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=0
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=20
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=40
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=60
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=80
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=100
2404131317303932550.eigenfacs
2404131317303932550.atom
making animated gifs
11 models are in 2404131317303932550.10.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 2404131317303932550.10.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 2404131317303932550.10.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 2404131317303932550 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=-80
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=-60
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=-40
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=-20
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=0
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=20
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=40
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=60
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=80
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=100
2404131317303932550.eigenfacs
2404131317303932550.atom
making animated gifs
11 models are in 2404131317303932550.11.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 2404131317303932550.11.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 2404131317303932550.11.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 2404131317303932550 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=-80
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=-60
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=-40
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=-20
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=0
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=20
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=40
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=60
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=80
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=100
2404131317303932550.eigenfacs
2404131317303932550.atom
making animated gifs
11 models are in 2404131317303932550.12.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 2404131317303932550.12.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 2404131317303932550.12.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 2404131317303932550 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=-80
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=-60
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=-40
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=-20
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=0
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=20
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=40
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=60
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=80
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=100
2404131317303932550.eigenfacs
2404131317303932550.atom
making animated gifs
11 models are in 2404131317303932550.13.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 2404131317303932550.13.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 2404131317303932550.13.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 2404131317303932550 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=-80
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=-60
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=-40
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=-20
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=0
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=20
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=40
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=60
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=80
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=100
2404131317303932550.eigenfacs
2404131317303932550.atom
making animated gifs
11 models are in 2404131317303932550.14.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 2404131317303932550.14.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 2404131317303932550.14.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 2404131317303932550 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=-80
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=-60
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=-40
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=-20
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=0
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=20
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=40
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=60
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=80
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=100
2404131317303932550.eigenfacs
2404131317303932550.atom
making animated gifs
11 models are in 2404131317303932550.15.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 2404131317303932550.15.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 2404131317303932550.15.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 2404131317303932550 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=-80
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=-60
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=-40
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=-20
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=0
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=20
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=40
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=60
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=80
2404131317303932550.eigenfacs
2404131317303932550.atom
calculating perturbed structure for DQ=100
2404131317303932550.eigenfacs
2404131317303932550.atom
making animated gifs
11 models are in 2404131317303932550.16.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 2404131317303932550.16.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 2404131317303932550.16.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
2404131317303932550.10.pdb
2404131317303932550.11.pdb
2404131317303932550.12.pdb
2404131317303932550.13.pdb
2404131317303932550.14.pdb
2404131317303932550.15.pdb
2404131317303932550.16.pdb
2404131317303932550.7.pdb
2404131317303932550.8.pdb
2404131317303932550.9.pdb
STDERR:
real 0m2.668s
user 0m2.664s
sys 0m0.004s
../../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: 2404131317303932550.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 25th, 2023.
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