*** ***
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 = 240415131151392532.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 240415131151392532.atom to be opened.
Openam> File opened: 240415131151392532.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 = 206
First residue number = 88
Last residue number = 308
Number of atoms found = 214
Mean number per residue = 1.0
Pdbmat> Coordinate statistics:
= 0.674640 +/- 8.898785 From: -22.499000 To: 20.356000
= 0.532341 +/- 8.921086 From: -22.297000 To: 20.234000
= -0.427799 +/- 10.703140 From: -18.370000 To: 22.385000
Pdbmat> Masses are all set to one.
%Pdbmat-W> residue:'ZN ' is not a well known amino-acid.
%Pdbmat-W> 1 residue(s) not known.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijf
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 9.1530 % Filled.
Pdbmat> 18892 non-zero elements.
Pdbmat> 1957 atom-atom interactions.
Pdbmat> Number per atom= 18.29 +/- 6.31
Maximum number = 34
Minimum number = 3
Pdbmat> Matrix trace = 39140.0
Pdbmat> Larger element = 152.948
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 214 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) = 642
Diagstd> Number of non-zero elements 18892
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 39140.0000006
%Diagstd-Wn: Nb on non-zero elements there: 642
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 642 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 39140.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0825224 0.1896367 0.2807751 0.5507223
0.6144913 0.7283779 0.9012772 1.0664597 1.2480531
1.4555184 1.6396991 1.7283770 2.1297052 2.1569876
2.4869697 2.7333110 2.7377750 3.0590628 3.3747088
3.6628244 3.7960648 3.8496598 3.9441346 4.0992840
4.3930821 4.4475162 4.6271014 4.8544685 5.1047743
5.2975697 5.3656501 5.7413193 6.1113685 6.2967669
6.4923356 6.6950036 6.8295872 6.9463842 7.0629039
7.3469759 7.7176410 7.8518087 8.0904536 8.2673991
8.6357753 8.8690857 8.9490862 9.1257118 9.3312316
9.5469712 9.7284700 9.8103237 10.0595103 10.3072850
10.4406579 10.6499515 10.9802323 11.2064048 11.2370018
11.5379272 11.7602094 11.9799396 12.2087875 12.7390420
12.8307359 13.0766219 13.1391722 13.5785071 13.7470639
14.0484356 14.1495269 14.4368773 14.6027309 14.8322182
14.9814855 15.1351735 15.3741209 15.7924265 15.9873583
16.0684451 16.3756971 16.5361390 16.6001910 16.7534547
17.0700245 17.3357258 17.4668151 17.7635104 17.8969454
18.0550771 18.0943092 18.2580285 18.4150054 18.8625125
18.9280402 19.2691472 19.4352589 19.6907389 19.9850822
20.1192758 20.2359973 20.4261995 20.8584178 21.0613664
21.1481274 21.2850256 21.3850274 21.6676992 22.0741874
22.1055262 22.3908364 22.3922611 22.6971702 22.8976350
22.9453792 23.3683913 23.5253156 23.5779982 23.8251745
23.8779938 24.2520855 24.4514480 24.7778127 24.8045822
24.9992057 25.0682027 25.1587391 25.3247923 25.5117695
25.8217423 26.2127087 26.2773150 26.5119511 26.6491023
26.7004532 26.8748528 27.0870742 27.3810780 27.5363285
27.6599804 27.8834302 28.0868342 28.2767005 28.4038293
28.6446765 29.0622452 29.1986550 29.3602315 29.4471350
29.5412894 29.6261636 29.8303521 29.8717409 30.1927747
30.2445732 30.5828114 30.6184553 30.6959355 31.0222128
31.0509497 31.2103159 31.2976273 31.5378875 31.7137327
31.9830969 32.0964060 32.2238824 32.3266758 32.6793415
32.7741567 32.9513654 32.9822548 33.0823513 33.3771031
33.6623112 33.7915066 33.8778126 34.1802544 34.2453412
34.3294158 34.4043884 34.5890516 34.7090735 34.8820305
35.0197511 35.2937493 35.5261769 35.5576678 35.7615023
35.8006083 35.9545289 36.1880961 36.5279927 36.6723087
36.7890698 37.0400271 37.2097388 37.2743900 37.4231437
37.5887979 37.7744844 37.9253457 38.2010290 38.3372728
38.4200024 38.5686119 38.7020342 38.7654952 38.9404077
39.0466792 39.2478625 39.3716065 39.7657366 40.0181580
40.0941310 40.1124507 40.3195319 40.5970479 40.7192458
40.7757164 40.9093789 41.3132022 41.4176476 41.4521147
41.4939796 41.6294298 41.7529431 42.0013199 42.1580392
42.2465117 42.3733197 42.4558636 42.5398537 42.7638552
42.8627092 43.0638074 43.1832590 43.2955895 43.4733131
43.6084407 43.7128526 43.8873937 43.9654993 44.0674285
44.2410082 44.3300971 44.5285467 44.6240917 44.8304409
44.9710575 45.0983558 45.4258583 45.6030530 45.8398589
45.9608448 46.0844945 46.2078027 46.2931148 46.4110929
46.5223083 46.7036550 46.8609930 46.9791793 47.2090510
47.3466476 47.4246423 47.7144711 47.7844822 47.9585907
48.1640864 48.2510305 48.4154336 48.8160788 48.8943872
49.0364421 49.1124253 49.4185297 49.4992937 49.6332626
49.8367447 50.1694893 50.2897471 50.4011676 50.5081713
50.7462264 50.8464950 51.0033864 51.1922903 51.4546214
51.4746126 51.6890193 51.9376491 52.0210473 52.0833707
52.2667758 52.4614563 52.6662650 52.8460063 52.9928112
53.0651430 53.2740143 53.3807955 53.4536092 53.5797300
53.8692918 54.0783009 54.2017722 54.5242181 54.6810917
54.8074618 55.0119592 55.2908844 55.5055190 55.7734640
55.8712565 56.0309245 56.3074040 56.4724598 56.5567068
56.8722397 57.0407298 57.3941741 57.5051561 57.6384204
57.7366764 58.0162392 58.0756746 58.1416421 58.3481432
58.5185242 58.7832776 59.0879011 59.1020120 59.3313672
59.5296010 59.6439833 59.6690151 59.7575718 59.9516516
60.1481268 60.2709036 60.4285426 60.4662848 60.6415010
60.9463331 61.0809665 61.2565598 61.4206015 61.5665078
61.6350957 61.9361894 62.1748424 62.3748330 62.5994922
62.7430891 62.8042105 63.0524051 63.2149412 63.6861633
63.8270549 64.0396252 64.1145213 64.4968836 64.6120725
64.7173365 64.8608593 65.1378372 65.2589966 65.3920927
65.4545069 65.6737433 65.9682321 66.1429432 66.2995942
66.4696647 66.6155223 66.8065826 67.0767359 67.1557444
67.2900338 67.4957513 67.6841674 67.7970148 68.1987425
68.2715355 68.3228950 68.5652493 68.7224939 68.9163028
69.0857352 69.2751085 69.3719014 69.5465087 69.6918176
70.0618693 70.2747832 70.3519860 70.6089225 70.6265827
70.8864800 71.1725638 71.2224659 71.5033559 71.6987720
71.8004284 72.2484797 72.3034262 72.5003429 72.5494078
73.0335518 73.3056912 73.3619296 73.5327523 73.7956290
73.9631767 74.1940693 74.3802840 74.6275837 74.7857801
75.0822703 75.2073215 75.5202652 75.5997860 75.7941130
76.0030492 76.3365521 76.4200308 76.5367572 76.7186722
76.8221686 77.0312517 77.1980760 77.5848228 77.7128045
77.9485887 78.1403020 78.1823253 78.6033039 78.9583783
79.2646370 79.3675726 79.5400566 79.6956673 79.8421219
80.1056759 80.4934095 80.6621553 80.8372072 81.1364831
81.3641984 81.6150072 81.8017992 81.9947414 82.1549750
82.3939960 82.4406352 82.8703726 83.0813509 83.2418030
83.2819362 83.4374829 83.7291483 83.9237611 84.2582183
84.5428701 84.6312024 84.8129677 84.9388746 85.2446869
85.3675539 85.7901368 85.8480821 86.3577513 86.4832637
86.7349128 86.7814051 87.0930223 87.3999830 87.8165181
88.0264803 88.2414500 88.7978076 89.0068249 89.0328982
89.2584138 89.6011111 89.6777504 89.9987187 90.2170125
90.3457454 90.5355651 90.9939769 91.3570140 91.4522367
91.6747965 91.7755927 92.2223375 92.9601870 93.0304970
93.3188115 93.4212852 93.5918464 93.7289219 93.9958139
94.2651325 94.7681275 95.0462300 95.1473803 95.5801984
95.8647761 95.9301107 96.2119038 96.4375182 96.8157030
96.9959261 97.1957191 97.4865328 97.7886202 97.9117333
98.2605872 98.6325876 98.6492022 98.9040680 99.2196993
99.4928157 99.7630129 99.9645332 100.1852061 100.4788083
100.5155690 101.0611775 101.5246182 101.8084336 102.1559812
102.3064977 102.7165641 103.2104218 103.4584160 103.7544506
103.9158054 104.1351302 104.2161254 104.7914683 105.1765285
105.4584534 106.0860756 106.3895470 106.6632944 107.0030837
107.5107051 107.9000048 108.1266274 108.5715291 108.9143223
109.1217679 109.4214770 109.9737613 110.4056696 110.8944532
111.4221559 111.8939393 112.2719127 112.3574593 113.1220954
113.2417190 113.4927744 114.1300884 114.4925100 114.9391678
115.5942090 115.7189871 116.1835890 116.5463556 117.1680502
117.4441183 117.9907914 118.2381398 118.6980434 118.9288983
119.4190521 119.9374761 120.2749037 121.0339248 121.1141758
122.2122619 122.7281600 123.2807931 123.7276251 124.1685612
124.7009386 125.4753034 126.7176312 126.9640246 127.7567978
128.1380494 129.9939110 130.2114705 130.8314485 132.1904154
132.3422550 133.2435445 133.5701989 133.8722885 134.3278799
135.2916759 135.6921070 136.3331340 136.7700549 138.3215332
138.6052458 139.0628050 140.0962615 140.6078967 141.9583581
143.2090142 143.4907287 144.5231655 144.8971643 145.2884680
145.7508657 147.8225349 148.2777926 149.5216176 150.1696135
151.3050436 152.4293944 154.4769537 156.7075017 160.5022566
165.1441542 165.3723997 169.0184641 173.5136184 179.2554806
183.9485286 225.5811504
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034224 0.0034286 0.0034396 0.0034415 0.0034533
0.0034563 31.1947320 47.2886062 57.5406265 80.5863742
85.1242210 92.6773583 103.0918826 112.1417929 121.3142479
131.0099031 139.0520392 142.7626238 158.4729080 159.4847291
171.2499784 179.5311468 179.6776920 189.9282098 199.4864647
207.8276506 211.5738986 213.0622233 215.6607669 219.8615498
227.6040265 229.0097915 233.5876033 239.2578104 245.3485813
249.9387649 251.5396504 260.1963080 268.4506840 272.4922075
276.6914635 280.9769451 283.7870079 286.2033278 288.5937545
294.3402049 301.6737816 304.2847128 308.8742580 312.2336679
319.1140664 323.3960461 324.8513123 328.0413980 331.7147350
335.5274742 338.7018363 340.1237420 344.4163025 348.6321410
350.8804833 354.3799121 359.8330458 363.5201027 364.0160278
368.8579750 372.3941131 375.8569578 379.4298971 387.5820580
388.9744387 392.6838715 393.6219262 400.1485911 402.6245532
407.0139210 408.4757127 412.6025547 414.9658161 418.2137750
420.3128994 422.4632946 425.7850680 431.5386643 434.1938162
435.2935250 439.4355398 441.5829913 442.4373905 444.4751321
448.6548349 452.1330925 453.8393431 457.6776213 459.3933840
461.4184473 461.9194864 464.0045295 465.9949446 471.6230804
472.4415717 476.6795573 478.7297817 481.8660031 485.4541856
487.0812950 488.4921476 490.7824958 495.9477926 498.3546923
499.3801081 500.9938196 502.1693310 505.4773255 510.1966976
510.5587326 513.8429935 513.8593405 517.3460496 519.6256665
520.1671243 524.9400254 526.6996252 527.2890407 530.0457123
530.6329299 534.7734348 536.9669695 540.5386630 540.8305785
542.9481840 543.6969277 544.6778520 546.4723925 548.4860316
551.8080754 555.9698373 556.6545638 559.1342877 560.5786742
561.1185114 562.9480602 565.1663928 568.2252798 569.8339198
571.1119060 573.4141162 575.5017854 577.4436987 578.7403033
581.1888068 585.4096287 586.7818923 588.4031893 589.2733545
590.2146751 591.0619315 593.0952829 593.5065924 596.6872991
597.1989151 600.5289987 600.8788511 601.6386351 604.8276909
605.1077623 606.6586052 607.5065818 609.8339241 611.5316814
614.1232465 615.2101364 616.4306330 617.4130494 620.7717269
621.6716219 623.3500347 623.6421372 624.5877542 627.3640090
630.0387274 631.2466087 632.0522200 634.8672520 635.4714284
636.2510130 636.9453936 638.6524864 639.7595698 641.3515653
642.6164044 645.1254554 647.2462122 647.5330125 649.3863533
649.7413152 651.1365612 653.2480887 656.3087344 657.6039389
658.6499814 660.8926596 662.4049830 662.9801916 664.3017767
665.7704247 667.4128324 668.7442399 671.1704247 672.3662227
673.0912950 674.3918058 675.5572772 676.1109171 677.6345293
678.5585588 680.3044078 681.3760250 684.7779948 686.9479432
687.5997070 687.7567766 689.5297692 691.8986879 692.9392205
693.4195479 694.5551297 697.9747460 698.8564768 699.1472049
699.5001705 700.6409412 701.6795620 703.7635175 705.0752690
705.8147141 706.8732146 707.5613793 708.2609151 710.1232069
710.9435020 712.6093107 713.5969543 714.5244741 715.9894940
717.1013819 717.9593480 719.3912902 720.0311495 720.8653234
722.2836562 723.0105288 724.6270478 725.4040483 727.0793084
728.2187055 729.2486509 731.8917487 733.3178213 735.2193293
736.1889282 737.1785575 738.1641322 738.8452432 739.7861186
740.6719670 742.1141541 743.3631420 744.2999552 746.1186834
747.2052200 747.8204072 750.1020237 750.6521317 752.0184345
753.6278578 754.3077623 755.5917250 758.7116031 759.3199034
760.4221454 761.0110643 763.3789675 764.0025030 765.0356833
766.6022923 769.1572189 770.0785135 770.9311236 771.7490485
773.5656143 774.3294746 775.5231855 776.9580315 778.9462194
779.0975234 780.7184210 782.5938383 783.2219061 783.6909320
785.0695542 786.5302880 788.0640933 789.4077149 790.5034315
791.0427411 792.5980360 793.3919708 793.9328964 794.8689651
797.0139323 798.5586147 799.4697275 801.8442210 802.9968998
803.9242426 805.4226456 807.4619174 809.0276490 810.9780313
811.6886989 812.8476874 814.8506808 816.0441064 816.6525775
818.9274829 820.1396658 822.6766781 823.4716907 824.4253084
825.1277069 827.1229415 827.5465111 828.0163779 829.4855029
830.6957005 832.5727247 834.7271934 834.8268590 836.4451324
837.8413031 838.6458462 838.8218118 839.4440426 840.8061049
842.1827342 843.0418446 844.1436157 844.4071903 845.6297463
847.7524837 848.6883301 849.9073436 851.0445849 852.0548255
852.5293075 854.6091162 856.2540269 857.6300276 859.1731285
860.1579919 860.5768531 862.2756239 863.3862930 866.5982815
867.5563307 868.9997893 869.5077998 872.0967050 872.8751226
873.5858643 874.5539975 876.4193298 877.2340411 878.1281475
878.5471169 880.0172107 881.9880539 883.1552163 884.2004172
885.3337578 886.3045911 887.5746879 889.3674707 889.8911017
890.7804017 892.1409992 893.3853481 894.1297933 896.7749404
897.2534063 897.5908364 899.1813900 900.2118720 901.4803515
902.5878274 903.8240380 904.4552405 905.5927701 906.5383389
908.9419350 910.3219977 910.8218934 912.4836098 912.5977145
914.2752975 916.1183566 916.4394650 918.2448320 919.4987411
920.1503549 923.0168659 923.3677857 924.6243163 924.9371352
928.0181953 929.7455893 930.1021608 931.1843988 932.8473878
933.9057691 935.3623311 936.5353968 938.0910020 939.0847637
940.9444356 941.7276917 943.6849598 944.1816664 945.3943830
946.6965370 948.7713252 949.2899533 950.0146644 951.1430065
951.7843548 953.0786864 954.1101556 956.4971199 957.2856996
958.7368244 959.9150992 960.1731821 962.7547740 964.9268480
966.7963850 967.4239375 968.4745845 969.4214748 970.3118055
971.9119563 974.2612786 975.2819605 976.3396591 978.1452937
979.5169493 981.0254904 982.1474834 983.3050750 984.2653902
985.6961567 985.9750948 988.5415454 989.7991010 990.7544221
990.9932285 991.9182420 993.6504119 994.8045195 996.7848208
998.4671341 998.9886083 1000.0608137 1000.8028455 1002.6028624
1003.3251509 1005.8053940 1006.1450127 1009.1272708 1009.8603379
1011.3285167 1011.5995304 1013.4141434 1015.1984694 1017.6147353
1018.8305264 1020.0738121 1023.2845142 1024.4881388 1024.6381830
1025.9350389 1027.9026314 1028.3421402 1030.1807813 1031.4293871
1032.1650109 1033.2487500 1035.8612889 1037.9256113 1038.4663925
1039.7292395 1040.3006727 1042.8295838 1046.9929915 1047.3888612
1049.0106074 1049.5864103 1050.5440995 1051.3131364 1052.8088731
1054.3160585 1057.1252103 1058.6751716 1059.2383547 1061.6448178
1063.2240984 1063.5863451 1065.1473336 1066.3954734 1068.4843903
1069.4784235 1070.5793171 1072.1797300 1073.8396594 1074.5154137
1076.4279300 1078.4636055 1078.5544347 1079.9467896 1081.6686271
1083.1563279 1084.6261189 1085.7210337 1086.9187441 1088.5102377
1088.7093381 1091.6601507 1094.1603247 1095.6886375 1097.5572426
1098.3655148 1100.5645560 1103.2071215 1104.5317208 1106.1108381
1106.9705938 1108.1381648 1108.5690300 1111.6248407 1113.6653214
1115.1569085 1118.4703413 1120.0689552 1121.5090354 1123.2939691
1125.9552635 1127.9919810 1129.1759219 1131.4966111 1133.2814417
1134.3601908 1135.9169149 1138.7799703 1141.0139874 1143.5369240
1146.2545138 1148.6786843 1150.6171450 1151.0554231 1154.9654713
1155.5759827 1156.8562219 1160.0998139 1161.9403102 1164.2045824
1167.5172852 1168.1472529 1170.4899101 1172.3158292 1175.4384199
1176.8223728 1179.5581003 1180.7938281 1183.0880297 1184.2379603
1186.6758114 1189.2488305 1190.9205498 1194.6724221 1195.0684178
1200.4737591 1203.0048877 1205.7103533 1207.8934291 1210.0438389
1212.6351184 1216.3943872 1222.4013002 1223.5891590 1227.4033073
1229.2333503 1238.1030268 1239.1386466 1242.0851088 1248.5193107
1249.2361566 1253.4827703 1255.0183234 1256.4367305 1258.5728544
1263.0798842 1264.9477104 1267.9320779 1269.9621895 1277.1449113
1278.4540225 1280.5624797 1285.3119736 1287.6568311 1293.8256720
1299.5124895 1300.7900339 1305.4613335 1307.1493865 1308.9132151
1310.9944460 1320.2786577 1322.3101643 1327.8446672 1330.7188588
1335.7401577 1340.6939276 1349.6685513 1359.3778016 1375.7383748
1395.4904953 1396.4545151 1411.7648208 1430.4150257 1453.8898401
1472.7988604 1630.9726704
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 240415131151392532.eigenfacs
Openam> file on opening on unit 10:
240415131151392532.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 240415131151392532.atom
Openam> file on opening on unit 11:
240415131151392532.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 = 206
First residue number = 88
Last residue number = 308
Number of atoms found = 214
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: 9.9329E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9689E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0033E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0044E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0113E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0130E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 8.2522E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1896
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2808
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5507
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6145
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7284
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9013
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 1.066
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 1.248
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 1.456
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 1.640
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 1.728
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 2.130
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 2.157
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 2.487
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 2.733
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 2.738
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 3.059
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 3.375
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 3.663
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 3.796
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 3.850
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 3.944
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 4.099
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 4.393
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 4.448
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 4.627
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 4.854
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 5.105
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 5.298
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 5.366
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 5.741
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 6.111
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 6.297
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 6.492
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 6.695
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 6.830
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 6.946
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 7.063
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 7.347
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 7.718
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 7.852
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 8.090
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 8.267
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 8.636
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 8.869
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 8.949
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 9.126
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 9.331
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 9.547
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 9.728
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 9.810
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 10.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 10.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 10.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 10.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 10.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 11.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 11.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 11.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 11.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 11.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 12.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 12.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 12.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 13.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 13.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 13.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 13.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 14.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 14.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 14.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 14.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 14.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 14.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 15.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 15.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 15.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 15.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 16.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 16.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 16.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 16.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 16.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 17.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 17.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 17.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 17.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 17.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 18.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 18.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 18.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 18.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 18.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 18.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 19.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 19.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 19.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 19.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 20.12
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 642 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 : 0.082522
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= 0.384 for 213 C-alpha atoms.
Bfactors> = 3.056 +/- 14.87
Bfactors> = 23.633 +/- 5.57
Bfactors> Shiftng-fct= 20.577
Bfactors> Scaling-fct= 0.374
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 240415131151392532 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=-80
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=-60
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=-40
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=-20
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=0
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=20
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=40
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=60
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=80
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=100
240415131151392532.eigenfacs
240415131151392532.atom
making animated gifs
11 models are in 240415131151392532.7.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 240415131151392532.7.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 240415131151392532.7.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 240415131151392532 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=-80
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=-60
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=-40
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=-20
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=0
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=20
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=40
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=60
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=80
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=100
240415131151392532.eigenfacs
240415131151392532.atom
making animated gifs
11 models are in 240415131151392532.8.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 240415131151392532.8.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 240415131151392532.8.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 240415131151392532 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=-80
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=-60
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=-40
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=-20
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=0
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=20
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=40
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=60
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=80
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=100
240415131151392532.eigenfacs
240415131151392532.atom
making animated gifs
11 models are in 240415131151392532.9.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 240415131151392532.9.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 240415131151392532.9.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 240415131151392532 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=-80
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=-60
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=-40
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=-20
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=0
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=20
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=40
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=60
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=80
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=100
240415131151392532.eigenfacs
240415131151392532.atom
making animated gifs
11 models are in 240415131151392532.10.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 240415131151392532.10.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 240415131151392532.10.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 240415131151392532 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=-80
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=-60
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=-40
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=-20
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=0
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=20
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=40
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=60
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=80
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=100
240415131151392532.eigenfacs
240415131151392532.atom
making animated gifs
11 models are in 240415131151392532.11.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 240415131151392532.11.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 240415131151392532.11.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 240415131151392532 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=-80
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=-60
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=-40
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=-20
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=0
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=20
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=40
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=60
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=80
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=100
240415131151392532.eigenfacs
240415131151392532.atom
making animated gifs
11 models are in 240415131151392532.12.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 240415131151392532.12.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 240415131151392532.12.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 240415131151392532 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=-80
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=-60
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=-40
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=-20
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=0
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=20
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=40
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=60
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=80
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=100
240415131151392532.eigenfacs
240415131151392532.atom
making animated gifs
11 models are in 240415131151392532.13.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 240415131151392532.13.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 240415131151392532.13.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 240415131151392532 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=-80
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=-60
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=-40
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=-20
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=0
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=20
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=40
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=60
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=80
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=100
240415131151392532.eigenfacs
240415131151392532.atom
making animated gifs
11 models are in 240415131151392532.14.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 240415131151392532.14.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 240415131151392532.14.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 240415131151392532 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=-80
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=-60
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=-40
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=-20
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=0
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=20
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=40
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=60
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=80
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=100
240415131151392532.eigenfacs
240415131151392532.atom
making animated gifs
11 models are in 240415131151392532.15.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 240415131151392532.15.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 240415131151392532.15.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 240415131151392532 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=-80
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=-60
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=-40
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=-20
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=0
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=20
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=40
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=60
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=80
240415131151392532.eigenfacs
240415131151392532.atom
calculating perturbed structure for DQ=100
240415131151392532.eigenfacs
240415131151392532.atom
making animated gifs
11 models are in 240415131151392532.16.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 240415131151392532.16.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 240415131151392532.16.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
240415131151392532.10.pdb
240415131151392532.11.pdb
240415131151392532.12.pdb
240415131151392532.13.pdb
240415131151392532.14.pdb
240415131151392532.15.pdb
240415131151392532.16.pdb
240415131151392532.7.pdb
240415131151392532.8.pdb
240415131151392532.9.pdb
STDERR:
real 0m3.857s
user 0m3.845s
sys 0m0.012s
../../bin/check_modes: error while loading shared libraries: libgfortran.so.3: cannot open shared object file: No such file or directory
mv: cannot stat 'Chkmod.res': No such file or directory
cat: 240415131151392532.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 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
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
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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.
|
