*** ***
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 = 2404260424312878936.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 2404260424312878936.atom to be opened.
Openam> File opened: 2404260424312878936.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 = 184
First residue number = 97
Last residue number = 1292
Number of atoms found = 184
Mean number per residue = 1.0
Pdbmat> Coordinate statistics:
= 125.079962 +/- 9.559239 From: 104.174000 To: 144.873000
= -28.771663 +/- 8.008014 From: -46.624000 To: -8.704000
= -263.865337 +/- 9.676249 From: -284.180000 To: -243.328000
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 6.0271 % Filled.
Pdbmat> 9199 non-zero elements.
Pdbmat> 900 atom-atom interactions.
Pdbmat> Number per atom= 9.78 +/- 3.28
Maximum number = 17
Minimum number = 2
Pdbmat> Matrix trace = 18000.0
Pdbmat> Larger element = 68.6172
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 184 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) = 552
Diagstd> Number of non-zero elements 9199
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 18000.0000006
%Diagstd-Wn: Nb on non-zero elements there: 552
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 552 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 18000.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0069769
0.0579569 0.0709169 0.0951219 0.0976955 0.1265345
0.1500871 0.1811800 0.2041327 0.3060267 0.3384748
0.3737808 0.3918545 0.4473653 0.5053595 0.5144529
0.5733762 0.6456027 0.7302901 0.8100305 0.8851912
0.9111880 0.9432292 0.9831901 1.0493513 1.0589839
1.0694018 1.1688820 1.2303073 1.2526875 1.4126468
1.4902657 1.5386042 1.5736723 1.6636551 1.7178542
1.7946260 1.8688902 1.9351738 1.9772478 2.0805310
2.1315844 2.2274875 2.3113486 2.3905422 2.4377078
2.5424155 2.6634715 2.7372282 2.7834607 2.8184338
2.9486620 3.0501548 3.1094446 3.2434319 3.3375566
3.4275580 3.4958034 3.5217838 3.6023153 3.6898194
3.7649014 3.8835022 3.9658196 4.0419443 4.1837757
4.2437877 4.3232982 4.3474168 4.4952867 4.5739298
4.6454732 4.7019569 4.8196944 4.8708657 4.9544111
5.0247567 5.2564181 5.2922698 5.4146790 5.5163210
5.5981953 5.7330270 5.8471553 5.8905179 5.9419242
6.0052111 6.0337538 6.2748064 6.3758831 6.4235644
6.6035881 6.6703859 6.7657309 6.7878878 6.8530677
6.9466915 7.0097549 7.0276445 7.1317857 7.3221173
7.4033230 7.5148929 7.7238402 7.7714524 7.8550930
8.0861107 8.1448750 8.3781358 8.4567457 8.5277231
8.6113955 8.7272851 8.8471461 8.8754595 9.1144247
9.1801789 9.3996167 9.4378667 9.6377086 9.8469701
9.8591883 9.8785196 9.9596950 10.1087914 10.2466131
10.3709561 10.5382345 10.7148549 10.7720836 10.9564971
11.1050628 11.2391408 11.3582668 11.5912026 11.6577834
11.7307588 11.9846703 12.0166182 12.1086037 12.1655148
12.3263181 12.3890307 12.5735092 12.7703035 12.8568876
12.9530324 13.0399774 13.1283924 13.3189607 13.4566320
13.5766899 13.7478909 13.8341644 13.9526044 13.9800014
14.1403806 14.2526212 14.3514679 14.4777357 14.5824834
14.7184157 14.8001524 14.9440369 15.1563075 15.3368678
15.4311054 15.4610767 15.6136844 15.7550389 15.9302368
16.0927645 16.1383543 16.2088334 16.3879653 16.4300298
16.5289168 16.6720544 16.8024815 16.8505365 17.1263743
17.2525414 17.2857742 17.5449873 17.6105827 17.6975762
17.7691990 18.0623224 18.2403975 18.4179690 18.5414551
18.6631594 18.7395092 18.8050193 18.9099708 19.0709171
19.1106895 19.2541410 19.3432918 19.4068698 19.5194889
19.7003631 19.8809757 19.9751770 20.1050385 20.2749028
20.4979820 20.5453325 20.6762312 20.8215409 20.9992801
21.0474956 21.1782229 21.3094855 21.4782478 21.5898320
21.6637092 21.7301872 21.8568268 21.9839226 22.0266432
22.1725376 22.4551916 22.5276369 22.6656804 22.7652140
22.8866719 23.0619509 23.0937283 23.2807159 23.3385324
23.4204573 23.4888487 23.5119833 23.6262463 23.6620076
23.7991974 23.8740351 23.9807437 24.1003612 24.2643548
24.4114171 24.4756488 24.6202121 24.6716393 24.8768715
24.9561260 25.0274227 25.1224634 25.3148576 25.3845160
25.4279785 25.5162715 25.6417122 25.7766512 25.9555303
26.1147201 26.2091068 26.4204064 26.5056649 26.6257969
26.7434824 26.7943616 27.0637413 27.0738631 27.2508665
27.3084920 27.5326739 27.6038390 27.6867738 27.8262954
27.9117964 27.9829616 28.0480630 28.1949462 28.2322080
28.3693563 28.6260807 28.8210501 28.9488087 29.0730763
29.2138522 29.3787854 29.4179409 29.5579127 29.7691849
29.8537501 30.0031351 30.1640643 30.2481620 30.3196847
30.5901353 30.8214393 30.9774863 31.0196778 31.2951026
31.3595776 31.4857889 31.6041214 31.8824419 32.0338122
32.1887778 32.4409246 32.6658621 32.8497360 32.9755400
33.1476621 33.1919756 33.4846558 33.6335921 33.8952067
34.0752330 34.1298206 34.2133926 34.4085442 34.5133314
34.7741446 34.8730209 34.9777744 35.2780657 35.3101330
35.4433355 35.6595496 35.8308532 35.8965642 35.9881301
36.1875883 36.2726661 36.4086725 36.5938148 36.7411424
36.9288539 37.0662328 37.2460338 37.3691022 37.4916855
37.7414629 37.8879497 38.0262400 38.2053395 38.3275790
38.7091844 38.7726914 38.9102337 39.0722946 39.3583965
39.5520998 39.8795934 39.9103255 39.9679824 40.2146258
40.3226956 40.5949978 40.6540414 40.7406153 41.0220582
41.0465187 41.2950215 41.4897989 41.6225500 41.7063936
41.8771173 42.0640655 42.1526935 42.2847283 42.5413103
43.1120386 43.1823259 43.4394863 43.6853124 43.7843756
43.9198109 44.0836736 44.2350311 44.4175766 44.5906373
44.7007700 45.0997756 45.2885649 45.4243027 45.5268168
45.7278520 46.0135852 46.1723843 46.2654171 46.3986258
46.6720035 46.7835360 46.8577530 47.0469748 47.2485902
47.3259291 47.4022947 47.7605599 47.9343491 48.1107464
48.3424318 48.5370782 48.5819281 48.7519962 48.9360944
49.1169413 49.3972872 49.7707511 50.0548998 50.2406147
50.3109194 50.4539272 50.8384828 50.8976845 51.1138535
51.1730538 51.2837325 51.5286272 51.7385890 52.0005277
52.1980856 52.3424831 52.5287241 52.7495942 53.0017211
53.1271491 53.4705327 53.6127234 53.8667975 54.1301059
54.1903930 54.5991191 54.6893536 54.9121400 55.1120342
55.2862049 55.3330452 55.4605819 55.7536794 56.1699719
56.2589159 56.3974010 56.7875928 56.9347217 57.2034945
57.3010000 57.9408094 58.0999853 58.2746315 58.4790056
58.6597356 58.9748068 59.0721569 59.3699192 59.7772257
59.9519452 60.1820717 60.4933591 60.7107469 60.8760607
61.2836909 61.4828748 61.6390351 61.9086370 62.2169944
62.6999069 62.7865360 63.0662288 63.2641419 63.7376336
63.8908780 64.1336835 64.2138047 64.6179449 64.7780580
65.0784053 65.3045702 65.5989707 66.1166103 66.3883327
66.8493406 67.1478040 67.3468773 67.8829016 68.1398046
68.3129852 68.6376811 68.9043402 69.4005422 69.4592397
70.0243310 70.0691981 70.8119383 71.0165016 71.3378919
71.7984035 72.5826921 72.6976042 73.1890938 73.4404333
73.7917939 74.1328671 74.5020039 75.1825280 75.5899768
75.8277412 76.0964674 76.2804811 77.4653632 77.5505294
78.6104946 79.1324721 80.1568042 80.4987752 80.7636558
81.5411811 81.7663099 82.0963864 82.7102249 82.7627726
83.1836256 83.9795571 84.4661735 84.6969938 85.3330235
85.5074654 86.7217095 87.5157889 87.6524654 88.1739818
89.2907849 90.1737246 90.2681757 90.9756087 91.7215463
91.8661324 92.5422937 93.4417134 93.7639710 95.3532237
95.6470572 96.1942220 97.5710915 101.1197121 102.0944925
103.5336844 103.8626612
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034228 0.0034268 0.0034302 0.0034323 0.0034363
0.0034369 0.0034375 0.0034404 0.0034462 9.0704163
26.1425427 28.9181199 33.4915644 33.9416264 38.6277834
42.0694605 46.2221725 49.0627139 60.0723928 63.1769189
66.3901723 67.9763240 72.6317366 77.1961222 77.8875555
82.2271260 87.2525144 92.7989314 97.7340659 102.1677484
103.6571541 105.4639159 107.6747881 111.2386565 111.7480533
112.2963728 117.4033859 120.4486892 121.5392802 129.0660665
132.5644673 134.6972514 136.2236241 140.0641280 142.3273704
145.4729555 148.4523830 151.0620114 152.6953577 156.6326774
158.5428093 162.0701069 165.0927530 167.8972117 169.5454372
173.1484249 177.2226821 179.6597467 181.1706429 182.3052604
186.4694860 189.6514718 191.4858512 195.5679435 198.3853513
201.0424135 203.0340043 203.7870702 206.1038674 208.5920903
210.7036612 213.9966914 216.2528080 218.3184529 222.1158125
223.7031517 225.7890507 226.4179849 230.2363945 232.2416065
234.0508703 235.4694672 238.3993293 239.6615470 241.7081523
243.4180617 248.9661088 249.8137091 252.6862672 255.0468977
256.9326548 260.0083372 262.5835988 263.5554617 264.7029814
266.1089131 266.7405680 272.0166229 274.1987379 275.2221114
279.0520828 280.4598896 282.4571941 282.9193221 284.2744264
286.2096597 287.5058579 287.8724947 289.9976125 293.8418310
295.4667599 297.6848133 301.7949169 302.7236682 304.3483467
308.7913468 309.9113575 314.3178014 315.7889399 317.1113793
318.6632994 320.8003713 322.9958031 323.5122305 327.8384668
329.0189051 332.9280240 333.6047304 337.1181816 340.7584154
340.9697579 341.3038698 342.7033109 345.2589118 347.6045481
349.7072835 352.5163052 355.4581103 356.4061071 359.4439213
361.8726733 364.0506719 365.9749108 369.7085785 370.7688771
371.9275364 375.9311605 376.4318928 377.8699127 378.7568762
381.2518554 382.2204725 385.0556788 388.0573279 389.3706430
390.8238024 392.1332786 393.4604240 396.3058190 398.3487580
400.1218148 402.6366642 403.8980408 405.6233248 406.0213663
408.3436715 409.9611016 411.3802548 413.1860048 414.6780290
416.6062802 417.7614613 419.7872527 422.7581458 425.2688941
426.5734280 426.9874862 429.0895904 431.0275410 433.4174539
435.6228067 436.2394153 437.1909468 439.6001157 440.1639347
441.4865504 443.3940288 445.1250068 445.7610802 449.3947512
451.0470222 451.4812282 454.8537815 455.7032677 456.8274324
457.7508996 461.5110200 463.7804409 466.0324405 467.5921232
469.1242282 470.0828274 470.9037750 472.2160123 474.2213143
474.7155507 476.4939098 477.5957705 478.3800136 479.7660372
481.9837487 484.1881178 485.3338672 486.9089246 488.9615065
491.6441023 492.2116256 493.7771289 495.5091895 497.6196068
498.1905597 499.7353116 501.2815990 503.2626555 504.5682410
505.4307830 506.2056802 507.6785746 509.1524917 509.6469604
511.3320087 514.5809006 515.4103068 516.9870457 518.1209449
519.5012563 521.4867783 521.8459367 523.9543444 524.6045488
525.5244974 526.2912447 526.5503586 527.8282659 528.2275822
529.7566729 530.5889412 531.7733932 533.0980039 534.9086908
536.5272398 537.2326345 538.8168581 539.3793103 541.6180906
542.4801670 543.2545153 544.2850326 546.3651938 547.1163880
547.5845653 548.5344239 549.8810982 551.3260682 553.2357467
554.9296992 555.9316381 558.1681186 559.0679958 560.3334999
561.5704657 562.1044031 564.9229221 565.0285530 566.8725648
567.4716104 569.7961042 570.5320199 571.3884491 572.8263350
573.7057130 574.4366208 575.1044357 576.6083344 576.9892247
578.3889948 581.0001248 582.9753348 584.2660192 585.5187055
586.9345754 588.5890774 588.9811774 590.3807129 592.4868996
593.3278406 594.8104631 596.4035355 597.2343465 597.9400189
600.6009009 602.8673136 604.3915271 604.8029785 607.4820785
608.1075322 609.3300127 610.4739566 613.1561215 614.6099583
616.0947724 618.5031162 620.6436874 622.3880161 623.5786508
625.2039772 625.6217398 628.3739899 629.7699105 632.2144585
633.8911632 634.3986981 635.1749335 636.9838615 637.9530545
640.3589859 641.2687333 642.2311503 644.9821006 645.2751749
646.4911341 648.4600228 650.0157134 650.6114790 651.4407491
653.2435052 654.0109490 655.2359276 656.8997905 658.2208089
659.9001010 661.1264078 662.7279654 663.8219552 664.9098446
667.1210517 668.4144533 669.6331926 671.2082903 672.2812114
675.6196790 676.1736687 677.3719362 678.7810956 681.2617075
682.9360724 685.7576182 686.0217974 686.5171537 688.6321525
689.5568215 691.8812178 692.3841908 693.1210243 695.5110010
695.7183281 697.8211504 699.4649311 700.5830438 701.2883093
702.7221928 704.2889956 705.0305654 706.1338856 708.2730405
713.0082581 713.5892446 715.7108824 717.7331465 718.5464703
719.6569284 720.9981815 722.2348638 723.7235589 725.1320816
726.0270180 729.2601307 730.7848909 731.8792173 732.7046088
734.3205481 736.6111984 737.8811762 738.6241808 739.6867504
741.8626431 742.7485317 743.3374436 744.8368106 746.4310685
747.0417165 747.6441911 750.4642090 751.8283490 753.2104341
755.0218619 756.5403484 756.8898016 758.2134459 759.6436872
761.0460516 763.2148810 766.0945585 768.2783209 769.7022435
770.2406007 771.3345209 774.2684639 774.7191527 776.3625758
776.8120390 777.6516421 779.5061866 781.0926847 783.0674206
784.5535069 785.6379271 787.0343845 788.6872897 790.5698842
791.5047693 794.0585670 795.1136600 796.9954800 798.9410183
799.3858020 802.3947866 803.0575609 804.6915945 806.1549049
807.4277469 807.7697141 808.7000899 810.8341785 813.8556512
814.4997581 815.5016149 818.3178224 819.3772121 821.3089592
822.0086369 826.5850748 827.7196996 828.9628125 830.4151615
831.6973752 833.9279762 834.6159777 836.7168386 839.5820749
840.8081634 842.4203457 844.5962148 846.1124167 847.2636045
850.0955388 851.4759057 852.5565514 854.4190082 856.5442303
859.8619438 860.4557515 862.3701418 863.7222175 866.9483973
867.9899735 869.6377270 870.1807698 872.9147881 873.9955923
876.0194149 877.5402962 879.5160977 882.9793974 884.7919466
887.8586786 889.8384902 891.1565672 894.6959657 896.3873565
897.5257394 899.6562092 901.4021082 904.6419273 905.0244098
908.6984021 908.9894734 913.7944614 915.1134056 917.1817741
920.1373799 925.1492826 925.8813359 929.0058852 930.5996729
932.8231476 934.9764643 937.3013821 941.5724495 944.1204098
945.6040855 947.2781681 948.4228134 955.7604627 956.2857050
962.7988094 965.9900363 972.2220738 974.2937497 975.8953866
980.5816891 981.9344103 983.9143643 987.5859011 987.8995691
990.4081445 995.1351582 998.0141302 999.3768344 1003.1222124
1004.1470041 1011.2515389 1015.8708213 1016.6637725 1019.6837703
1026.1210587 1031.1819071 1031.7218137 1035.7567331 1039.9943123
1040.8136915 1044.6370141 1049.7011598 1051.5096825 1060.3835220
1062.0160656 1065.0494527 1072.6446278 1091.9762494 1097.2268778
1104.9334337 1106.6874964
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404260424312878936.eigenfacs
Openam> file on opening on unit 10:
2404260424312878936.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404260424312878936.atom
Openam> file on opening on unit 11:
2404260424312878936.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 = 184
First residue number = 97
Last residue number = 1292
Number of atoms found = 184
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: 9.9350E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9583E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9781E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9901E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0014E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0017E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0021E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0037E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0071E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 6.9769E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 5.7957E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 7.0917E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 9.5122E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 9.7696E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1265
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1501
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1812
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2041
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3060
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3385
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3738
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3919
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4474
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5054
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5145
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5734
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6456
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7303
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8100
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8852
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9112
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9432
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9832
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 1.049
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 1.059
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 1.069
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 1.169
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 1.230
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 1.253
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 1.413
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 1.490
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: 1.574
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 1.664
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 1.718
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 1.795
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 1.869
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 1.935
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 1.977
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 2.081
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 2.132
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 2.227
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 2.311
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 2.391
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 2.438
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 2.542
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 2.663
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 2.737
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 2.783
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 2.818
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 2.949
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 3.050
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 3.109
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 3.243
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 3.338
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 3.428
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 3.496
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 3.522
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 3.602
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 3.690
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 3.765
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 3.884
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 3.966
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 4.042
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 4.184
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 4.244
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 4.323
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 4.347
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 4.495
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 4.574
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 4.645
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 4.702
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 4.820
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 4.871
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 4.954
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 5.025
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 5.256
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 5.292
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 5.415
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 5.516
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 5.598
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 5.733
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 5.847
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 5.891
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 5.942
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 6.005
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 6.034
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 6.275
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 6.376
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 6.424
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 6.604
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 6.670
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 6.766
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 6.788
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 6.853
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 6.947
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 552 coordinates in file.
Openam> file on opening on unit 12:
bfactors.pred
Bfactors> Best zero-eigenvalue found : 0.000000
Bfactors> 9 eigenvalues less than : 0.000000
Bfactors> Lowest non-zero eigenvalue : 0.006977
Bfactors> 97 eigenvectors will be considered.
Bfactors> Rotation-Tranlation modes are skipped.
Bfactors> Mass-weighted B-factors are computed.
(CHARMM units assumed for eigenvalues)
Bfactors> Correlation= 0.178 for 183 C-alpha atoms.
Bfactors> = 23.233 +/- 115.20
Bfactors> = 27.197 +/- 13.67
Bfactors> Shiftng-fct= 3.964
Bfactors> Scaling-fct= 0.119
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404260424312878936 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=-80
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=-60
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=-40
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=-20
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=0
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=20
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=40
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=60
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=80
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=100
2404260424312878936.eigenfacs
2404260424312878936.atom
making animated gifs
11 models are in 2404260424312878936.7.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 2404260424312878936.7.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 2404260424312878936.7.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 2404260424312878936 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=-80
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=-60
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=-40
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=-20
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=0
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=20
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=40
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=60
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=80
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=100
2404260424312878936.eigenfacs
2404260424312878936.atom
making animated gifs
11 models are in 2404260424312878936.8.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 2404260424312878936.8.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 2404260424312878936.8.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 2404260424312878936 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=-80
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=-60
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=-40
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=-20
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=0
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=20
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=40
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=60
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=80
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=100
2404260424312878936.eigenfacs
2404260424312878936.atom
making animated gifs
11 models are in 2404260424312878936.9.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 2404260424312878936.9.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 2404260424312878936.9.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 2404260424312878936 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=-80
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=-60
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=-40
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=-20
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=0
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=20
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=40
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=60
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=80
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=100
2404260424312878936.eigenfacs
2404260424312878936.atom
making animated gifs
11 models are in 2404260424312878936.10.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 2404260424312878936.10.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 2404260424312878936.10.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 2404260424312878936 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=-80
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=-60
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=-40
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=-20
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=0
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=20
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=40
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=60
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=80
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=100
2404260424312878936.eigenfacs
2404260424312878936.atom
making animated gifs
11 models are in 2404260424312878936.11.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 2404260424312878936.11.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 2404260424312878936.11.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 2404260424312878936 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=-80
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=-60
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=-40
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=-20
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=0
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=20
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=40
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=60
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=80
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=100
2404260424312878936.eigenfacs
2404260424312878936.atom
making animated gifs
11 models are in 2404260424312878936.12.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 2404260424312878936.12.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 2404260424312878936.12.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 2404260424312878936 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=-80
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=-60
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=-40
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=-20
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=0
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=20
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=40
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=60
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=80
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=100
2404260424312878936.eigenfacs
2404260424312878936.atom
making animated gifs
11 models are in 2404260424312878936.13.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 2404260424312878936.13.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 2404260424312878936.13.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 2404260424312878936 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=-80
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=-60
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=-40
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=-20
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=0
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=20
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=40
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=60
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=80
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=100
2404260424312878936.eigenfacs
2404260424312878936.atom
making animated gifs
11 models are in 2404260424312878936.14.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 2404260424312878936.14.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 2404260424312878936.14.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 2404260424312878936 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=-80
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=-60
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=-40
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=-20
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=0
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=20
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=40
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=60
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=80
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=100
2404260424312878936.eigenfacs
2404260424312878936.atom
making animated gifs
11 models are in 2404260424312878936.15.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 2404260424312878936.15.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 2404260424312878936.15.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 2404260424312878936 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=-80
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=-60
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=-40
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=-20
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=0
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=20
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=40
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=60
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=80
2404260424312878936.eigenfacs
2404260424312878936.atom
calculating perturbed structure for DQ=100
2404260424312878936.eigenfacs
2404260424312878936.atom
making animated gifs
11 models are in 2404260424312878936.16.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 2404260424312878936.16.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 2404260424312878936.16.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
2404260424312878936.10.pdb
2404260424312878936.11.pdb
2404260424312878936.12.pdb
2404260424312878936.13.pdb
2404260424312878936.14.pdb
2404260424312878936.15.pdb
2404260424312878936.16.pdb
2404260424312878936.7.pdb
2404260424312878936.8.pdb
2404260424312878936.9.pdb
STDERR:
real 0m2.492s
user 0m2.459s
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: 2404260424312878936.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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.
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