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LOGs for ID: 2404250107492344703

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 = 2404250107492344703.atom Pdbmat> Distance cutoff = 8.00 Force constant = 10.00 Origin of mass values = CONS Pdbmat> Levelshift = 1.0E-09 PRINTing level = 2 Pdbmat> Coordinate file 2404250107492344703.atom to be opened. Openam> File opened: 2404250107492344703.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 = 195 First residue number = 96 Last residue number = 401 Number of atoms found = 198 Mean number per residue = 1.0 Pdbmat> Coordinate statistics: = 2.638828 +/- 9.174735 From: -18.534000 To: 21.554000 = 0.228030 +/- 7.563413 From: -19.065000 To: 16.353000 = 31.269444 +/- 10.775105 From: 11.962000 To: 53.464000 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 5.6962 % Filled. Pdbmat> 10066 non-zero elements. Pdbmat> 987 atom-atom interactions. Pdbmat> Number per atom= 9.97 +/- 3.36 Maximum number = 20 Minimum number = 4 Pdbmat> Matrix trace = 19740.0 Pdbmat> Larger element = 77.5408 Pdbmat> 0 elements larger than +/- 1.0E+10 Pdbmat> Normal end. using diagstd (there are 198 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) = 594 Diagstd> Number of non-zero elements 10066 Diagstd> Nb of elements found twice: 0 Diagstd> Nb of elements > 1E+10 : 0 Diagstd> Matrix trace: 19740.0000006 %Diagstd-Wn: Nb on non-zero elements there: 594 Openam> file on opening on unit 11: pdbmat.eigenfacs Diagstd> Diagonalization. Diagstd> 594 eigenvectors are about to be computed. Diagstd> Sum of eigenvalues = 19740.0000006 Diagstd> Eigenvalues: 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0055601 0.0552166 0.0655983 0.0696444 0.0717028 0.1437277 0.1702607 0.1793588 0.2210089 0.2426615 0.2703052 0.2856279 0.3021855 0.3171495 0.3683467 0.4808004 0.5254334 0.5679951 0.6205284 0.6660616 0.6860021 0.7241965 0.7524419 0.7788327 0.8236280 0.8689193 0.8942549 0.9119048 1.0368060 1.0661371 1.1077747 1.2199175 1.2733897 1.3707833 1.4889595 1.5385400 1.5859744 1.6390522 1.6759767 1.7192464 1.7872798 1.8356543 1.9369118 2.0449324 2.0866851 2.1532915 2.2800425 2.2907333 2.3431232 2.4600394 2.5190892 2.5519315 2.6671971 2.6944148 2.8184702 2.8484898 2.9015731 2.9966163 3.1560453 3.2584300 3.2720645 3.3794317 3.4331033 3.4707631 3.5373312 3.6633115 3.6789596 3.8387096 3.9621899 4.0898559 4.2174597 4.2788254 4.3158622 4.3940009 4.4737449 4.5886342 4.6218787 4.7306703 4.8422726 4.9263831 4.9669213 5.0473672 5.1524889 5.1930723 5.2703906 5.3555358 5.4204820 5.5103936 5.6206925 5.7076968 5.7646060 5.8748722 6.0667293 6.1386291 6.1918094 6.2380059 6.3677488 6.5113393 6.7124894 6.8091695 6.8866290 7.0152417 7.0713054 7.2331549 7.2862893 7.4039761 7.4837304 7.5434893 7.6588243 7.7585796 7.8511547 7.9016421 8.0823724 8.1027021 8.2253800 8.3345997 8.4165082 8.6529471 8.6870709 8.8201814 8.9281223 8.9610022 9.0121238 9.0963697 9.1738202 9.2694169 9.4396429 9.5729570 9.6900429 9.7279816 10.0183236 10.1081185 10.2081801 10.3306863 10.3791180 10.4029088 10.4794842 10.5923425 10.7578736 10.8212178 11.0019865 11.0576059 11.1173372 11.1384782 11.3227291 11.4031662 11.5557405 11.6890257 11.8227151 11.8717647 12.0220644 12.1263089 12.2299740 12.4632095 12.5879442 12.6830551 12.7170817 12.9420115 13.0384741 13.0867164 13.2629686 13.2747077 13.3258235 13.5768421 13.6649554 13.7580015 13.8444819 14.0991606 14.2254065 14.3210478 14.3648670 14.4927991 14.4992633 14.6158480 14.6897207 14.6921955 14.8231167 14.9761443 15.0822131 15.1512145 15.2566958 15.3704137 15.4347958 15.5505909 15.6219023 15.7512448 15.8290679 15.9254580 15.9924839 16.1949052 16.3153885 16.4894862 16.5307260 16.6648622 16.7372482 16.8561432 16.8875308 17.0366276 17.1810446 17.3975499 17.4915082 17.5882165 17.6770848 17.7507870 17.7906217 17.9565003 18.1872469 18.3459861 18.4387564 18.5605887 18.7195093 18.7868265 19.0133026 19.0685572 19.1594236 19.3484211 19.4884767 19.5970279 19.8259949 19.9072604 20.0024166 20.0536835 20.1986153 20.4219760 20.5602996 20.6149103 20.8393534 20.8959285 21.0367637 21.1773018 21.3721601 21.4179338 21.4386600 21.5859413 21.6904819 21.8632111 22.0535604 22.1047861 22.1821859 22.5398025 22.6017738 22.7170882 22.7764871 22.9564262 23.0398409 23.1336368 23.2190135 23.3740099 23.4383342 23.6105468 23.6734491 23.7921521 23.9553768 24.0386713 24.1331056 24.1820194 24.2977945 24.4182584 24.4798703 24.6129894 24.7779524 24.7970244 24.8801640 24.9777014 25.1308710 25.1603744 25.3004319 25.4260817 25.5055820 25.6169011 25.7978808 25.9119217 25.9347271 26.0622704 26.1755873 26.1908377 26.2645775 26.3170511 26.4996732 26.6807228 26.7127877 26.8547136 27.0802169 27.1715235 27.2370687 27.3059888 27.4780533 27.5170588 27.5711459 27.6205857 27.8960816 27.9836349 28.1270726 28.2249819 28.3583183 28.3871312 28.4924635 28.5869989 28.6859097 28.9241599 28.9874819 29.2277917 29.3038299 29.4537174 29.4868017 29.5861938 29.7672584 29.8109095 30.1284923 30.2194200 30.3509415 30.5023344 30.5936322 30.8077764 30.8725815 30.9906781 31.2763498 31.4403004 31.5224222 31.5723565 31.7073504 31.7590804 31.9735869 32.2546794 32.2978642 32.6946044 32.7927375 32.9506061 33.0379954 33.2335023 33.4999527 33.5405573 33.6768547 33.8293430 33.9844521 34.1426665 34.1819009 34.3093010 34.5869589 34.7279357 34.9178840 35.0419136 35.0562804 35.1382513 35.4533884 35.5245231 35.6840585 35.7693693 35.8549378 35.9630509 36.1024996 36.2825642 36.4668192 36.9631859 37.0665254 37.1772747 37.2541197 37.3525633 37.4427487 37.6375389 37.7559725 37.8945495 37.9337552 38.2020050 38.2921728 38.4695276 38.6124344 38.6741410 38.9765124 39.1024386 39.2218326 39.2968757 39.6476446 39.6994751 39.7293467 40.1435794 40.2470093 40.3503892 40.5327554 40.6155660 40.8259315 41.0671031 41.1385931 41.1651583 41.3198894 41.5056089 41.6013733 41.8637775 41.9528055 42.1889814 42.2986074 42.3800540 42.5765979 42.7090971 42.8520925 42.9617190 43.2967641 43.5768738 43.6778604 43.7680014 43.8344326 44.0648913 44.1607242 44.2529401 44.4999627 44.6828116 44.7886589 44.8640642 45.5267256 45.7470194 45.8703860 45.9558784 46.1448768 46.2634558 46.3937759 46.6513890 46.7370221 46.9481479 47.1362530 47.3346304 47.6275061 47.7124603 47.8459062 47.9565475 48.1017988 48.2895052 48.3553823 48.6414197 49.0191821 49.2607574 49.4875697 49.7299827 49.9127546 50.1332594 50.2148969 50.2243273 50.5012626 50.7036970 50.8361570 51.0324316 51.0971506 51.4836209 51.7159776 51.7661453 51.9293494 52.0295262 52.2330155 52.4772669 52.6511664 52.7469897 52.8632741 53.0529903 53.2486381 53.4991612 53.6362958 53.9495383 54.0929522 54.1862674 54.5374891 54.5896787 54.7150124 54.9426362 54.9846170 55.1953843 55.3817900 55.5516550 55.6229352 55.8827926 56.2009715 56.2856351 56.5701896 56.6518379 56.8652466 56.9007479 57.3943125 57.4761240 57.5600161 57.9471035 57.9578391 58.0727799 58.2402548 58.6153477 58.7894671 59.2159686 59.5344348 59.6634370 59.9437160 60.1627780 60.5386450 60.9361544 61.0500375 61.2008187 61.4023164 61.8684558 62.0816766 62.1978691 62.7759378 62.9671430 63.0516522 63.4906918 63.5569538 63.8893006 64.0191356 64.1884627 64.2294609 64.4951797 64.7276218 65.2791143 65.4308769 65.6411772 65.8146685 66.0397656 66.1675802 66.5907938 66.8791823 67.1580433 67.3526058 67.5502075 67.8951375 68.8893875 69.2702867 69.4636435 69.8726040 70.3923309 70.5858508 70.7130635 70.9690435 71.3172216 71.4284366 71.6590652 72.3495105 72.6622498 72.7630891 73.2617917 73.4740189 73.8786180 74.0947592 74.9907378 75.2666194 75.4249316 75.7006460 76.3452564 76.5715893 77.1299003 77.7913426 77.8861158 78.1887935 78.8238340 79.6022098 80.0505561 80.1764873 80.4754920 80.9502466 81.4451118 81.7277649 82.1689268 82.5636666 83.1512204 84.5996235 85.2589020 85.4776502 85.7702972 86.5427217 86.8949220 87.3012326 87.7094593 88.6500693 88.9923837 89.6641344 90.0272905 90.6376815 91.4143000 91.9395261 92.7312796 93.2238949 93.5791617 94.4986935 95.0383705 95.8174610 96.6948919 97.9112022 99.6958687 100.8061152 101.1540824 103.2940158 105.0979489 105.8365227 110.9695290 Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units): 0.0034257 0.0034290 0.0034335 0.0034376 0.0034401 0.0034429 8.0972403 25.5170398 27.8125938 28.6574980 29.0779119 41.1685511 44.8076858 45.9892784 51.0505203 53.4928467 56.4576077 58.0357490 59.6941899 61.1543409 65.9058070 75.2969998 78.7143894 81.8403690 85.5413550 88.6242305 89.9410632 92.4109619 94.1958489 95.8335045 98.5509517 101.2243487 102.6894777 103.6979171 110.5717107 112.1248343 114.2933627 119.9390242 122.5394555 127.1392623 132.5063600 134.6944426 136.7550475 139.0246046 140.5818537 142.3850325 145.1749081 147.1264421 151.1298327 155.2868766 156.8641636 159.3480291 163.9708875 164.3548561 166.2236616 170.3202615 172.3522896 173.4721618 177.3465875 178.2491677 182.3064387 183.2747415 184.9745757 187.9796563 192.9153998 196.0195903 196.4292734 199.6260067 201.2049755 202.3055342 204.2363984 207.8414710 208.2849014 212.7589847 216.1538238 219.6085704 223.0081572 224.6247261 225.5947900 227.6278255 229.6840764 232.6146158 233.4557370 236.1873423 238.9570764 241.0234895 242.0131260 243.9651150 246.4925584 247.4613993 249.2967870 251.3024613 252.8216349 254.9098345 257.4483980 259.4333046 260.7234510 263.2052167 267.4684668 269.0487490 270.2116496 271.2177892 274.0237738 277.0961196 281.3436305 283.3624854 284.9696590 287.6183570 288.7653495 292.0513139 293.1220474 295.4797927 297.0669568 298.2506634 300.5220430 302.4728441 304.2720404 305.2487952 308.7199602 309.1079792 311.4391924 313.5000780 315.0367778 319.4311800 320.0604145 322.5032070 324.4705949 325.0675155 325.9934350 327.5135953 328.9049361 330.6141888 333.6361204 335.9837974 338.0322454 338.6933343 343.7105068 345.2474214 346.9520366 349.0276773 349.8448667 350.2455906 351.5322984 353.4201344 356.1709529 357.2180118 360.1893217 361.0986241 362.0726068 362.4167076 365.4019311 366.6975493 369.1426032 371.2653653 373.3824423 374.1561783 376.5171862 378.1460727 379.7589753 383.3630284 385.2766462 386.7294274 387.2478467 390.6575035 392.1106743 392.8354077 395.4719187 395.6468971 396.4079072 400.1240567 401.4203546 402.7846926 404.0486253 407.7480650 409.5695140 410.9440310 411.5722503 413.4008979 413.4930820 415.1521476 416.1999747 416.2350327 418.0854408 420.2379681 421.7235136 422.6871091 424.1559112 425.7337287 426.6244332 428.2217565 429.2024964 430.9756372 432.0389985 433.3524398 434.2634128 437.0030672 438.6256143 440.9596402 441.5107110 443.2983799 444.2600988 445.8352325 446.2501318 448.2157314 450.1114516 452.9385924 454.1600294 455.4137943 456.5628834 457.5136822 458.0267498 460.1571009 463.1042451 465.1208525 466.2953603 467.8333245 469.8319101 470.6759338 473.5044452 474.1919718 475.3204504 477.6590880 479.3847642 480.7180018 483.5181441 484.5080849 485.6646726 486.2866626 488.0407425 490.7317545 492.3908791 493.0443711 495.7210942 496.3935358 498.0635330 499.7244435 502.0182314 502.5555416 502.7986452 504.5227755 505.7430001 507.7527148 509.9582677 510.5501864 511.4432489 515.5494561 516.2577007 517.5729997 518.2492135 520.2923257 521.2367377 522.2966459 523.2595484 525.0031295 525.7250259 527.6528677 528.3552758 529.6782546 531.4920627 532.4152782 533.4600325 534.0003763 535.2771534 536.6024148 537.2789631 538.7378171 540.5401873 540.7481786 541.6539314 542.7146128 544.3761007 544.6955531 546.2094976 547.5641415 548.4195132 549.6149990 551.5530567 552.7707974 553.0139941 554.3721488 555.5760266 555.7378476 556.5196321 557.0752862 559.0048025 560.9111533 561.2481034 562.7370929 565.0948504 566.0467157 566.7290348 567.4456014 569.2306295 569.6345023 570.1940592 570.7050584 573.5441872 574.4435312 575.9138825 576.9153792 578.2764637 578.5701623 579.6425795 580.6033841 581.6069587 584.0172265 584.6561539 587.0745884 587.8377508 589.3392123 589.6701112 590.6630851 592.4677283 592.9019697 596.0517669 596.9505307 598.2481502 599.7383486 600.6352288 602.7336755 603.3672774 604.5202039 607.3000419 608.8896950 609.6843835 610.1670890 611.4701431 611.9687416 614.0319371 616.7251294 617.1378488 620.9166756 621.8478208 623.3428526 624.1688979 626.0129771 628.5175042 628.8982953 630.1748139 631.5999135 633.0462150 634.5180750 634.8825430 636.0645848 638.6331666 639.9333803 641.6810873 642.8197140 642.9514757 643.7027322 646.5828102 647.2311469 648.6828283 649.4577769 650.2341384 651.2137237 652.4750605 654.1001764 655.7589432 660.2067776 661.1290175 662.1159581 662.7998985 663.6750410 664.4757585 666.2019338 667.2492752 668.4726670 668.8183790 671.1789983 671.9706200 673.5249786 674.7748265 675.3137902 677.9486000 679.0428825 680.0787751 680.7290616 683.7604494 684.2072356 684.4646011 688.0235870 688.9093630 689.7935741 691.3506003 692.0564734 693.8463874 695.8927538 696.4981995 696.7230443 698.0312329 699.5981863 700.4048000 702.6102593 703.3569522 705.3339697 706.2497624 706.9293828 708.5667328 709.6684130 710.8554491 711.7641429 714.5341667 716.8417897 717.6719269 718.4120995 718.9570971 720.8445706 721.6279961 722.3810507 724.3944324 725.8811635 726.7404097 727.3519159 732.7038748 734.4744321 735.4640988 736.1491518 737.6613443 738.6085247 739.6480903 741.6987887 742.3792064 744.0540965 745.5431915 747.1103885 749.4181395 750.0862183 751.1344358 752.0024145 753.1403905 754.6084395 755.1229866 757.3530892 760.2883059 762.1594218 763.9120202 765.7807311 767.1866725 768.8794451 769.5052159 769.5774690 771.6962649 773.2413915 774.2507531 775.7439752 776.2357163 779.1656932 780.9219852 781.3006648 782.5313061 783.2857319 784.8159667 786.6487998 787.9511225 788.6678183 789.5366763 790.9521557 792.4092432 794.2711111 795.2884381 797.6073482 798.6667837 799.3553726 801.9417981 802.3254149 803.2459257 804.9150118 805.2224644 806.7642795 808.1254319 809.3638099 809.8829045 811.7724924 814.0801995 814.6931516 816.7499142 817.3391127 818.8771332 819.1327077 822.6776698 823.2637949 823.8643938 826.6299691 826.7065392 827.5258862 828.7182698 831.3826424 832.6165554 835.6313006 837.8753188 838.7826029 840.7504556 842.2852996 844.9122921 847.6816887 848.4734315 849.5205640 850.9178965 854.1416871 855.6122596 856.4125705 860.3831275 861.6924239 862.2704752 865.2673373 865.7187374 867.9792581 868.8607590 870.0090447 870.2868444 872.0851855 873.6552795 877.3692456 878.3885191 879.7989932 880.9608918 882.4661225 883.3196803 886.1400719 888.0568272 889.9063328 891.1944670 892.5008201 894.7765964 901.3042979 903.7925829 905.0530990 907.7133956 911.0830216 912.3345191 913.1562720 914.8075836 917.0488867 917.7636500 919.2440966 923.6620043 925.6561706 926.2982521 929.4671563 930.8124386 933.3717704 934.7361219 940.3707098 942.0988755 943.0891379 944.8112872 948.8254152 950.2308172 953.6887627 957.7693032 958.3525512 960.2128997 964.1043842 968.8528976 971.5775180 972.3414346 974.1528388 977.0220571 980.0038731 981.7029392 984.3489617 986.7105368 990.2152126 998.8022120 1002.6864544 1003.9719233 1005.6890874 1010.2074222 1012.2609398 1014.6247875 1016.9942491 1022.4329099 1024.4050248 1028.2640689 1030.3442935 1033.8312942 1038.2509791 1041.2293722 1045.7031267 1048.4769858 1050.4729059 1055.6213916 1058.6313989 1062.9616827 1067.8175302 1074.5124991 1084.2610609 1090.2816923 1092.1618134 1103.6537959 1113.2492226 1117.1540428 1143.9239468 Diagstd> Normal end. B-factor analysis Bfactors> Version 1.22, Bordeaux. Getnam> Eigenvector filename ? Getnam> 2404250107492344703.eigenfacs Openam> file on opening on unit 10: 2404250107492344703.eigenfacs Getnam> Corresponding pdb filename ? Getnam> 2404250107492344703.atom Openam> file on opening on unit 11: 2404250107492344703.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 = 195 First residue number = 96 Last residue number = 401 Number of atoms found = 198 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: 9.9519E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 2 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9714E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 3 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9971E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 4 Rdmodfacs> Valeur propre du vecteur en lecture: 1.0021E-09 Rdmodfacs> Numero du vecteur CERFACS en lecture: 5 Rdmodfacs> Valeur propre du vecteur en lecture: 1.0036E-09 Rdmodfacs> Numero du vecteur CERFACS en lecture: 6 Rdmodfacs> Valeur propre du vecteur en lecture: 1.0052E-09 Rdmodfacs> Numero du vecteur CERFACS en lecture: 7 Rdmodfacs> Valeur propre du vecteur en lecture: 5.5601E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 8 Rdmodfacs> Valeur propre du vecteur en lecture: 5.5217E-02 Rdmodfacs> Numero du vecteur CERFACS en lecture: 9 Rdmodfacs> Valeur propre du vecteur en lecture: 6.5598E-02 Rdmodfacs> Numero du vecteur CERFACS en lecture: 10 Rdmodfacs> Valeur propre du vecteur en lecture: 6.9644E-02 Rdmodfacs> Numero du vecteur CERFACS en lecture: 11 Rdmodfacs> Valeur propre du vecteur en lecture: 7.1703E-02 Rdmodfacs> Numero du vecteur CERFACS en lecture: 12 Rdmodfacs> Valeur propre du vecteur en lecture: 0.1437 Rdmodfacs> Numero du vecteur CERFACS en lecture: 13 Rdmodfacs> Valeur propre du vecteur en lecture: 0.1703 Rdmodfacs> Numero du vecteur CERFACS en lecture: 14 Rdmodfacs> Valeur propre du vecteur en lecture: 0.1794 Rdmodfacs> Numero du vecteur CERFACS en lecture: 15 Rdmodfacs> Valeur propre du vecteur en lecture: 0.2210 Rdmodfacs> Numero du vecteur CERFACS en lecture: 16 Rdmodfacs> Valeur propre du vecteur en lecture: 0.2427 Rdmodfacs> Numero du vecteur CERFACS en lecture: 17 Rdmodfacs> Valeur propre du vecteur en lecture: 0.2703 Rdmodfacs> Numero du vecteur CERFACS en lecture: 18 Rdmodfacs> Valeur propre du vecteur en lecture: 0.2856 Rdmodfacs> Numero du vecteur CERFACS en lecture: 19 Rdmodfacs> Valeur propre du vecteur en lecture: 0.3022 Rdmodfacs> Numero du vecteur CERFACS en lecture: 20 Rdmodfacs> Valeur propre du vecteur en lecture: 0.3171 Rdmodfacs> Numero du vecteur CERFACS en lecture: 21 Rdmodfacs> Valeur propre du vecteur en lecture: 0.3683 Rdmodfacs> Numero du vecteur CERFACS en lecture: 22 Rdmodfacs> Valeur propre du vecteur en lecture: 0.4808 Rdmodfacs> Numero du vecteur CERFACS en lecture: 23 Rdmodfacs> Valeur propre du vecteur en lecture: 0.5254 Rdmodfacs> Numero du vecteur CERFACS en lecture: 24 Rdmodfacs> Valeur propre du vecteur en lecture: 0.5680 Rdmodfacs> Numero du vecteur CERFACS en lecture: 25 Rdmodfacs> Valeur propre du vecteur en lecture: 0.6205 Rdmodfacs> Numero du vecteur CERFACS en lecture: 26 Rdmodfacs> Valeur propre du vecteur en lecture: 0.6661 Rdmodfacs> Numero du vecteur CERFACS en lecture: 27 Rdmodfacs> Valeur propre du vecteur en lecture: 0.6860 Rdmodfacs> Numero du vecteur CERFACS en lecture: 28 Rdmodfacs> Valeur propre du vecteur en lecture: 0.7242 Rdmodfacs> Numero du vecteur CERFACS en lecture: 29 Rdmodfacs> Valeur propre du vecteur en lecture: 0.7524 Rdmodfacs> Numero du vecteur CERFACS en lecture: 30 Rdmodfacs> Valeur propre du vecteur en lecture: 0.7788 Rdmodfacs> Numero du vecteur CERFACS en lecture: 31 Rdmodfacs> Valeur propre du vecteur en lecture: 0.8236 Rdmodfacs> Numero du vecteur CERFACS en lecture: 32 Rdmodfacs> Valeur propre du vecteur en lecture: 0.8689 Rdmodfacs> Numero du vecteur CERFACS en lecture: 33 Rdmodfacs> Valeur propre du vecteur en lecture: 0.8943 Rdmodfacs> Numero du vecteur CERFACS en lecture: 34 Rdmodfacs> Valeur propre du vecteur en lecture: 0.9119 Rdmodfacs> Numero du vecteur CERFACS en lecture: 35 Rdmodfacs> Valeur propre du vecteur en lecture: 1.037 Rdmodfacs> Numero du vecteur CERFACS en lecture: 36 Rdmodfacs> Valeur propre du vecteur en lecture: 1.066 Rdmodfacs> Numero du vecteur CERFACS en lecture: 37 Rdmodfacs> Valeur propre du vecteur en lecture: 1.108 Rdmodfacs> Numero du vecteur CERFACS en lecture: 38 Rdmodfacs> Valeur propre du vecteur en lecture: 1.220 Rdmodfacs> Numero du vecteur CERFACS en lecture: 39 Rdmodfacs> Valeur propre du vecteur en lecture: 1.273 Rdmodfacs> Numero du vecteur CERFACS en lecture: 40 Rdmodfacs> Valeur propre du vecteur en lecture: 1.371 Rdmodfacs> Numero du vecteur CERFACS en lecture: 41 Rdmodfacs> Valeur propre du vecteur en lecture: 1.489 Rdmodfacs> Numero du vecteur CERFACS en lecture: 42 Rdmodfacs> Valeur propre du vecteur en lecture: 1.539 Rdmodfacs> Numero du vecteur CERFACS en lecture: 43 Rdmodfacs> Valeur propre du vecteur en lecture: 1.586 Rdmodfacs> Numero du vecteur CERFACS en lecture: 44 Rdmodfacs> Valeur propre du vecteur en lecture: 1.639 Rdmodfacs> Numero du vecteur CERFACS en lecture: 45 Rdmodfacs> Valeur propre du vecteur en lecture: 1.676 Rdmodfacs> Numero du vecteur CERFACS en lecture: 46 Rdmodfacs> Valeur propre du vecteur en lecture: 1.719 Rdmodfacs> Numero du vecteur CERFACS en lecture: 47 Rdmodfacs> Valeur propre du vecteur en lecture: 1.787 Rdmodfacs> Numero du vecteur CERFACS en lecture: 48 Rdmodfacs> Valeur propre du vecteur en lecture: 1.836 Rdmodfacs> Numero du vecteur CERFACS en lecture: 49 Rdmodfacs> Valeur propre du vecteur en lecture: 1.937 Rdmodfacs> Numero du vecteur CERFACS en lecture: 50 Rdmodfacs> Valeur propre du vecteur en lecture: 2.045 Rdmodfacs> Numero du vecteur CERFACS en lecture: 51 Rdmodfacs> Valeur propre du vecteur en lecture: 2.087 Rdmodfacs> Numero du vecteur CERFACS en lecture: 52 Rdmodfacs> Valeur propre du vecteur en lecture: 2.153 Rdmodfacs> Numero du vecteur CERFACS en lecture: 53 Rdmodfacs> Valeur propre du vecteur en lecture: 2.280 Rdmodfacs> Numero du vecteur CERFACS en lecture: 54 Rdmodfacs> Valeur propre du vecteur en lecture: 2.291 Rdmodfacs> Numero du vecteur CERFACS en lecture: 55 Rdmodfacs> Valeur propre du vecteur en lecture: 2.343 Rdmodfacs> Numero du vecteur CERFACS en lecture: 56 Rdmodfacs> Valeur propre du vecteur en lecture: 2.460 Rdmodfacs> Numero du vecteur CERFACS en lecture: 57 Rdmodfacs> Valeur propre du vecteur en lecture: 2.519 Rdmodfacs> Numero du vecteur CERFACS en lecture: 58 Rdmodfacs> Valeur propre du vecteur en lecture: 2.552 Rdmodfacs> Numero du vecteur CERFACS en lecture: 59 Rdmodfacs> Valeur propre du vecteur en lecture: 2.667 Rdmodfacs> Numero du vecteur CERFACS en lecture: 60 Rdmodfacs> Valeur propre du vecteur en lecture: 2.694 Rdmodfacs> Numero du vecteur CERFACS en lecture: 61 Rdmodfacs> Valeur propre du vecteur en lecture: 2.818 Rdmodfacs> Numero du vecteur CERFACS en lecture: 62 Rdmodfacs> Valeur propre du vecteur en lecture: 2.848 Rdmodfacs> Numero du vecteur CERFACS en lecture: 63 Rdmodfacs> Valeur propre du vecteur en lecture: 2.902 Rdmodfacs> Numero du vecteur CERFACS en lecture: 64 Rdmodfacs> Valeur propre du vecteur en lecture: 2.997 Rdmodfacs> Numero du vecteur CERFACS en lecture: 65 Rdmodfacs> Valeur propre du vecteur en lecture: 3.156 Rdmodfacs> Numero du vecteur CERFACS en lecture: 66 Rdmodfacs> Valeur propre du vecteur en lecture: 3.258 Rdmodfacs> Numero du vecteur CERFACS en lecture: 67 Rdmodfacs> Valeur propre du vecteur en lecture: 3.272 Rdmodfacs> Numero du vecteur CERFACS en lecture: 68 Rdmodfacs> Valeur propre du vecteur en lecture: 3.379 Rdmodfacs> Numero du vecteur CERFACS en lecture: 69 Rdmodfacs> Valeur propre du vecteur en lecture: 3.433 Rdmodfacs> Numero du vecteur CERFACS en lecture: 70 Rdmodfacs> Valeur propre du vecteur en lecture: 3.471 Rdmodfacs> Numero du vecteur CERFACS en lecture: 71 Rdmodfacs> Valeur propre du vecteur en lecture: 3.537 Rdmodfacs> Numero du vecteur CERFACS en lecture: 72 Rdmodfacs> Valeur propre du vecteur en lecture: 3.663 Rdmodfacs> Numero du vecteur CERFACS en lecture: 73 Rdmodfacs> Valeur propre du vecteur en lecture: 3.679 Rdmodfacs> Numero du vecteur CERFACS en lecture: 74 Rdmodfacs> Valeur propre du vecteur en lecture: 3.839 Rdmodfacs> Numero du vecteur CERFACS en lecture: 75 Rdmodfacs> Valeur propre du vecteur en lecture: 3.962 Rdmodfacs> Numero du vecteur CERFACS en lecture: 76 Rdmodfacs> Valeur propre du vecteur en lecture: 4.090 Rdmodfacs> Numero du vecteur CERFACS en lecture: 77 Rdmodfacs> Valeur propre du vecteur en lecture: 4.217 Rdmodfacs> Numero du vecteur CERFACS en lecture: 78 Rdmodfacs> Valeur propre du vecteur en lecture: 4.279 Rdmodfacs> Numero du vecteur CERFACS en lecture: 79 Rdmodfacs> Valeur propre du vecteur en lecture: 4.316 Rdmodfacs> Numero du vecteur CERFACS en lecture: 80 Rdmodfacs> Valeur propre du vecteur en lecture: 4.394 Rdmodfacs> Numero du vecteur CERFACS en lecture: 81 Rdmodfacs> Valeur propre du vecteur en lecture: 4.474 Rdmodfacs> Numero du vecteur CERFACS en lecture: 82 Rdmodfacs> Valeur propre du vecteur en lecture: 4.589 Rdmodfacs> Numero du vecteur CERFACS en lecture: 83 Rdmodfacs> Valeur propre du vecteur en lecture: 4.622 Rdmodfacs> Numero du vecteur CERFACS en lecture: 84 Rdmodfacs> Valeur propre du vecteur en lecture: 4.731 Rdmodfacs> Numero du vecteur CERFACS en lecture: 85 Rdmodfacs> Valeur propre du vecteur en lecture: 4.842 Rdmodfacs> Numero du vecteur CERFACS en lecture: 86 Rdmodfacs> Valeur propre du vecteur en lecture: 4.926 Rdmodfacs> Numero du vecteur CERFACS en lecture: 87 Rdmodfacs> Valeur propre du vecteur en lecture: 4.967 Rdmodfacs> Numero du vecteur CERFACS en lecture: 88 Rdmodfacs> Valeur propre du vecteur en lecture: 5.047 Rdmodfacs> Numero du vecteur CERFACS en lecture: 89 Rdmodfacs> Valeur propre du vecteur en lecture: 5.152 Rdmodfacs> Numero du vecteur CERFACS en lecture: 90 Rdmodfacs> Valeur propre du vecteur en lecture: 5.193 Rdmodfacs> Numero du vecteur CERFACS en lecture: 91 Rdmodfacs> Valeur propre du vecteur en lecture: 5.270 Rdmodfacs> Numero du vecteur CERFACS en lecture: 92 Rdmodfacs> Valeur propre du vecteur en lecture: 5.356 Rdmodfacs> Numero du vecteur CERFACS en lecture: 93 Rdmodfacs> Valeur propre du vecteur en lecture: 5.420 Rdmodfacs> Numero du vecteur CERFACS en lecture: 94 Rdmodfacs> Valeur propre du vecteur en lecture: 5.510 Rdmodfacs> Numero du vecteur CERFACS en lecture: 95 Rdmodfacs> Valeur propre du vecteur en lecture: 5.621 Rdmodfacs> Numero du vecteur CERFACS en lecture: 96 Rdmodfacs> Valeur propre du vecteur en lecture: 5.708 Rdmodfacs> Numero du vecteur CERFACS en lecture: 97 Rdmodfacs> Valeur propre du vecteur en lecture: 5.765 Rdmodfacs> Numero du vecteur CERFACS en lecture: 98 Rdmodfacs> Valeur propre du vecteur en lecture: 5.875 Rdmodfacs> Numero du vecteur CERFACS en lecture: 99 Rdmodfacs> Valeur propre du vecteur en lecture: 6.067 Rdmodfacs> Numero du vecteur CERFACS en lecture: 100 Rdmodfacs> Valeur propre du vecteur en lecture: 6.139 Rdmodfacs> Numero du vecteur CERFACS en lecture: 101 Rdmodfacs> Valeur propre du vecteur en lecture: 6.192 Rdmodfacs> Numero du vecteur CERFACS en lecture: 102 Rdmodfacs> Valeur propre du vecteur en lecture: 6.238 Rdmodfacs> Numero du vecteur CERFACS en lecture: 103 Rdmodfacs> Valeur propre du vecteur en lecture: 6.368 Rdmodfacs> Numero du vecteur CERFACS en lecture: 104 Rdmodfacs> Valeur propre du vecteur en lecture: 6.511 Rdmodfacs> Numero du vecteur CERFACS en lecture: 105 Rdmodfacs> Valeur propre du vecteur en lecture: 6.712 Rdmodfacs> Numero du vecteur CERFACS en lecture: 106 Rdmodfacs> Valeur propre du vecteur en lecture: 6.809 %Rdmodfacs-Wn> More than 106 vectors in file. Bfactors> 106 vectors, 594 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 : 0.005560 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= 0.165 for 197 C-alpha atoms. Bfactors> = 25.959 +/- 112.11 Bfactors> = 18.837 +/- 6.67 Bfactors> Shiftng-fct= -7.122 Bfactors> Scaling-fct= 0.060 Bfactors> Predicted, Scaled and Experimental B-factors are saved. Bfactors> Normal end. check_modes getting mode 7 running: ../../bin/get_modes.sh 2404250107492344703 7 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 7 calculating perturbed structure for DQ=-100 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=-80 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=-60 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=-40 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=-20 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=0 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=20 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=40 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=60 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=80 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=100 2404250107492344703.eigenfacs 2404250107492344703.atom making animated gifs 11 models are in 2404250107492344703.7.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 2404250107492344703.7.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 2404250107492344703.7.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 2404250107492344703 8 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 8 calculating perturbed structure for DQ=-100 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=-80 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=-60 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=-40 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=-20 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=0 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=20 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=40 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=60 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=80 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=100 2404250107492344703.eigenfacs 2404250107492344703.atom making animated gifs 11 models are in 2404250107492344703.8.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 2404250107492344703.8.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 2404250107492344703.8.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 2404250107492344703 9 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 9 calculating perturbed structure for DQ=-100 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=-80 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=-60 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=-40 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=-20 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=0 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=20 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=40 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=60 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=80 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=100 2404250107492344703.eigenfacs 2404250107492344703.atom making animated gifs 11 models are in 2404250107492344703.9.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 2404250107492344703.9.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 2404250107492344703.9.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 2404250107492344703 10 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 10 calculating perturbed structure for DQ=-100 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=-80 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=-60 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=-40 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=-20 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=0 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=20 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=40 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=60 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=80 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=100 2404250107492344703.eigenfacs 2404250107492344703.atom making animated gifs 11 models are in 2404250107492344703.10.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 2404250107492344703.10.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 2404250107492344703.10.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 2404250107492344703 11 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 11 calculating perturbed structure for DQ=-100 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=-80 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=-60 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=-40 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=-20 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=0 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=20 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=40 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=60 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=80 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=100 2404250107492344703.eigenfacs 2404250107492344703.atom making animated gifs 11 models are in 2404250107492344703.11.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 2404250107492344703.11.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 2404250107492344703.11.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 2404250107492344703 12 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 12 calculating perturbed structure for DQ=-100 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=-80 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=-60 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=-40 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=-20 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=0 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=20 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=40 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=60 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=80 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=100 2404250107492344703.eigenfacs 2404250107492344703.atom making animated gifs 11 models are in 2404250107492344703.12.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 2404250107492344703.12.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 2404250107492344703.12.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 2404250107492344703 13 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 13 calculating perturbed structure for DQ=-100 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=-80 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=-60 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=-40 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=-20 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=0 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=20 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=40 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=60 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=80 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=100 2404250107492344703.eigenfacs 2404250107492344703.atom making animated gifs 11 models are in 2404250107492344703.13.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 2404250107492344703.13.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 2404250107492344703.13.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 2404250107492344703 14 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 14 calculating perturbed structure for DQ=-100 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=-80 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=-60 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=-40 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=-20 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=0 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=20 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=40 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=60 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=80 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=100 2404250107492344703.eigenfacs 2404250107492344703.atom making animated gifs 11 models are in 2404250107492344703.14.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 2404250107492344703.14.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 2404250107492344703.14.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 2404250107492344703 15 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 15 calculating perturbed structure for DQ=-100 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=-80 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=-60 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=-40 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=-20 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=0 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=20 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=40 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=60 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=80 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=100 2404250107492344703.eigenfacs 2404250107492344703.atom making animated gifs 11 models are in 2404250107492344703.15.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 2404250107492344703.15.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 2404250107492344703.15.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 2404250107492344703 16 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 16 calculating perturbed structure for DQ=-100 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=-80 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=-60 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=-40 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=-20 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=0 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=20 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=40 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=60 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=80 2404250107492344703.eigenfacs 2404250107492344703.atom calculating perturbed structure for DQ=100 2404250107492344703.eigenfacs 2404250107492344703.atom making animated gifs 11 models are in 2404250107492344703.16.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 2404250107492344703.16.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 2404250107492344703.16.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 2404250107492344703.10.pdb 2404250107492344703.11.pdb 2404250107492344703.12.pdb 2404250107492344703.13.pdb 2404250107492344703.14.pdb 2404250107492344703.15.pdb 2404250107492344703.16.pdb 2404250107492344703.7.pdb 2404250107492344703.8.pdb 2404250107492344703.9.pdb STDERR: real 0m3.049s user 0m3.041s 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: 2404250107492344703.Chkmod.res: No such file or directory pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing 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pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format




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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.