*** ***
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 = 240504104259320993.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 240504104259320993.atom to be opened.
Openam> File opened: 240504104259320993.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 = 188
First residue number = 96
Last residue number = 288
Number of atoms found = 192
Mean number per residue = 1.0
Pdbmat> Coordinate statistics:
= 97.479130 +/- 7.510841 From: 80.375000 To: 116.291000
= 82.860620 +/- 9.359722 From: 63.061000 To: 100.743000
= -30.728948 +/- 10.375026 From: -51.777000 To: -9.626000
Pdbmat> Masses are all set to one.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijf
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 9.7433 % Filled.
Pdbmat> 16191 non-zero elements.
Pdbmat> 1671 atom-atom interactions.
Pdbmat> Number per atom= 17.41 +/- 5.48
Maximum number = 30
Minimum number = 5
Pdbmat> Matrix trace = 33420.0
Pdbmat> Larger element = 118.022
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 192 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) = 576
Diagstd> Number of non-zero elements 16191
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 33420.0000006
%Diagstd-Wn: Nb on non-zero elements there: 576
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 576 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 33420.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.5007577 0.5513176 0.8591304 0.9547985
1.1358099 1.1976638 1.5326031 1.5799337 1.7458384
2.1724677 2.3701232 2.5818704 2.8009291 3.0149485
3.0652797 3.2463892 3.5471691 3.6247161 3.8770519
3.9638335 4.2330021 4.2799256 4.3501821 4.6393420
4.7439927 5.5050231 5.5935525 5.7967399 6.0938702
6.2014938 6.3977914 6.5521518 6.8445405 7.2158934
7.2841617 7.5243314 7.9916922 8.1224480 8.3639683
8.6024214 8.7981627 8.9544989 9.1815736 9.6343969
9.7467863 10.1309778 10.2813187 10.5228285 10.7746576
10.8381853 11.1315490 11.3024024 11.3734354 11.6125252
11.8437798 12.1906075 12.4211808 12.5786757 12.9926108
13.2840526 13.5354113 13.7896960 13.9485510 14.2042794
14.5569940 14.7494631 14.9720360 15.1213866 15.3331982
15.4138080 15.6072259 16.0307084 16.1539586 16.5083616
16.5515701 16.6289216 17.0128662 17.0915192 17.2527098
17.6202470 17.7486268 17.9008197 17.9532450 18.4688164
18.5338083 18.8102273 19.2975806 19.5710078 19.8352999
19.8565045 20.0154176 20.0805853 20.1257501 20.5542392
20.6615955 20.8110360 21.0946596 21.2102832 21.7260716
22.0547581 22.1798701 22.2303912 22.7646282 22.8545902
22.9711253 23.0760850 23.1324834 23.3008657 23.6487835
23.7693502 23.9496135 24.0914600 24.4359371 24.6037070
24.7286842 24.9092589 25.2806137 25.4239363 25.4675545
25.7070157 25.9396283 26.0437238 26.4913838 26.5619410
26.7222798 26.8416571 26.8991085 27.0459921 27.3290293
27.3678522 27.5403376 27.6755165 27.7706746 27.7915677
27.9440252 28.0565900 28.2227944 28.5358609 28.5743193
28.8021546 28.9228530 29.1585040 29.1906591 29.6266269
29.8055611 29.8923321 30.0068140 30.2034319 30.2127822
30.4784437 30.7799920 30.8927507 30.9888610 31.1939898
31.3441644 31.3767564 31.4547907 31.5868761 32.0784962
32.2541994 32.4474436 32.4886058 32.6953342 33.1636971
33.1800878 33.4101273 33.6335815 33.9592170 34.1210060
34.3240100 34.7157391 34.9212227 34.9314080 35.1341553
35.2303048 35.4086929 35.6611511 35.7949807 35.8391747
36.1064902 36.2340198 36.3230001 36.4646817 36.7011662
36.8427997 37.1415422 37.3365381 37.4250630 37.5754157
37.6895755 37.9749680 38.1337153 38.2617306 38.3534402
38.5831050 38.7668228 38.8844814 38.9954405 39.1245667
39.3891383 39.4895766 39.7052506 39.7455287 39.9826346
40.0910410 40.2589983 40.4122247 40.4268506 40.4457566
40.8168196 40.9685592 41.2020321 41.5150510 41.6447012
41.7396914 41.8921477 42.0856174 42.1478347 42.3643141
42.4032748 42.5715316 42.8440533 43.0242345 43.1443265
43.2580782 43.4559064 43.5643640 43.7029437 44.0122456
44.2398214 44.4828844 44.5418560 44.7925567 44.8124541
44.9773845 45.1308085 45.2242320 45.4013037 45.5085580
45.6563171 45.6750613 45.7818162 46.0179946 46.0906399
46.2282700 46.5064939 46.7362018 46.9113289 46.9639301
47.0100123 47.2758293 47.3628003 47.6118659 47.8035603
48.0393569 48.1958223 48.3085290 48.4121144 48.5265308
48.7508627 49.0552542 49.2074185 49.2970779 49.5110460
49.5816054 49.7540891 49.8047554 50.1199178 50.2811440
50.4325537 50.4695250 50.7550877 50.9186569 51.2361046
51.3907179 51.5159374 51.6837516 51.8013391 51.9190596
52.0991007 52.4427464 52.5912164 52.6949153 52.9497901
53.0357994 53.2044466 53.3901801 53.7073301 53.7233673
53.9827815 54.1050633 54.2075495 54.4834171 54.7800433
54.9766563 55.2310328 55.4050632 55.6039811 55.7959303
56.1001928 56.3908655 56.5390091 56.7217495 56.8520878
56.8619148 56.9707900 57.2170428 57.5545574 57.6561248
57.8745481 57.9715615 58.3030141 58.4991411 58.6235717
58.9512340 59.2083334 59.3791917 59.5766434 59.7023392
59.8110640 60.0548857 60.5179872 60.7582044 61.2214006
61.3643709 61.5148694 61.6165133 61.9240098 62.1159945
62.3055462 62.7142853 62.7577918 62.9297737 63.1857871
63.4425599 63.6078687 63.6577178 63.8281354 64.0345098
64.2025089 64.3886646 64.5165994 64.6436035 64.8501571
64.9587488 65.0036006 65.4863954 65.6317959 65.8595133
65.9782037 66.0944278 66.2871293 66.5998129 66.8121183
66.9709564 67.2787403 67.5878450 67.6173638 67.9397029
68.3016015 68.3119486 68.5964255 68.9431964 69.1229459
69.3814552 69.5799954 69.6270802 69.7896212 70.2206667
70.5472973 70.6026507 70.7252962 70.9517667 71.1283199
71.2354620 71.4851153 71.7026310 71.9483338 72.0345877
72.3019686 72.5012918 72.9109364 73.0604718 73.3795835
73.4565918 73.6101550 73.7731820 74.1802198 74.3843508
74.5168919 74.7902289 75.2583753 75.2838777 75.4559939
75.8560209 76.2412878 76.4830360 76.7013436 76.8268776
77.1711410 77.2938771 77.5431189 77.7142633 77.9068108
78.2618495 78.6900259 78.8600990 79.0884685 79.1726576
79.3308491 79.5869308 79.9189902 80.2778040 80.4505389
81.0449670 81.1196690 81.4825005 81.4875860 81.7615802
81.7951449 82.0435883 82.3497898 82.6527431 82.9313421
83.2925591 83.5122582 83.7365221 83.8948726 83.9781236
84.3369100 84.4594186 84.8144698 85.2077347 85.2762700
85.4094579 85.6258757 85.9738093 86.1284356 86.6568472
86.8549449 87.0110572 87.2676115 87.6960981 87.8383392
87.9439676 88.4772046 88.6435673 89.2430102 89.7114084
89.8710550 90.1641666 90.3578341 90.7036133 90.8733540
91.5420454 91.6531937 91.8608239 92.1263681 92.5493707
92.6298393 92.8562181 93.2130127 93.4000706 93.9562766
94.1109002 94.4880712 94.9657260 95.1250051 95.3580118
96.0924640 96.2613558 96.4021268 96.6686168 97.1464331
97.5087148 97.7681907 97.9829694 98.1798900 98.9312823
99.1979597 99.4616156 99.5515057 99.8867970 100.3198008
100.7821273 100.9850948 101.3822880 101.6743888 102.0349995
102.1695267 102.5062942 102.6621385 103.2439175 103.6732936
103.9927664 104.4392216 104.7961719 105.0109371 105.6268521
105.8799615 106.3939632 106.5749925 107.3313004 107.8536905
108.0883567 108.3611471 108.8667221 109.4991614 109.7378462
110.2950269 110.4440070 110.9015626 112.0594335 112.5707794
112.9196783 113.0885738 113.4191305 114.0398540 114.3520411
114.4786898 114.9513833 115.7383964 115.9929299 116.2907845
116.6374634 116.8694843 117.5019114 117.6180991 118.3850637
119.0982035 119.8794000 119.9821275 120.5004536 120.8665203
121.8176277 122.4805107 122.7946642 123.7110824 123.9371491
124.5200182 125.2117999 125.3658080 126.2761172 127.3611495
127.9789365 128.0360724 130.3142120 130.7886490 131.2920636
133.5535097 133.8082496 134.1410350 135.6710145 135.9418560
137.5157362 138.4312955 138.6865749 139.6178065 140.7518561
142.9933278 143.4780471 144.8218209 146.6710583 150.4877805
151.9643769 155.0248834 159.0404679 160.7340537 164.1607568
172.6607697
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034222 0.0034259 0.0034305 0.0034340 0.0034412
0.0034447 76.8438506 80.6299155 100.6525618 106.1087349
115.7305751 118.8400279 134.4343135 136.4943626 143.4819609
160.0559934 167.1786223 174.4867699 181.7382490 188.5537727
190.1211063 195.6570822 204.5202094 206.7436981 213.8188992
216.1986510 223.4187004 224.6536026 226.4899829 233.8963661
236.5196827 254.7855859 256.8260893 261.4491219 268.0660893
270.4228811 274.6694244 277.9631707 284.0975119 291.7026240
293.0792483 297.8716956 306.9832325 309.4843916 314.0519318
318.4972128 322.1004077 324.9495375 329.0438969 337.0602563
339.0205326 345.6375857 348.1927229 352.2585363 356.4486873
357.4979583 362.3039606 365.0737968 366.2192024 370.0484713
373.7149247 379.1472883 382.7160910 385.1347801 391.4204339
395.7861326 399.5130852 403.2483751 405.5644012 409.2652613
414.3154534 417.0454495 420.1803234 422.2708367 425.2180139
426.3342788 429.0008363 434.7820810 436.4502671 441.2119505
441.7889809 442.8200980 447.9030536 448.9372211 451.0492231
455.8282908 457.4858432 459.4431066 460.1153886 466.6752963
467.4956929 470.9689787 477.0311198 480.3987572 483.6315955
483.8900363 485.8224812 486.6127280 487.1596598 492.3183048
493.6023371 495.3841762 498.7484299 500.1134257 506.1577408
509.9721148 511.4165517 511.9986698 518.1142790 519.1370196
520.4588714 521.6465574 522.2836248 524.1810406 528.0799549
529.4243775 531.4281248 532.9995470 536.7966285 538.6362197
540.0025170 541.9705443 545.9955293 547.5410398 548.0105283
550.5808628 553.0662462 554.1748608 558.9173642 559.6611804
561.3478118 562.6002779 563.2020454 564.7376455 567.6849537
568.0880293 569.8753998 571.2722758 572.2535497 572.4687750
574.0368369 575.1918486 576.8930223 580.0838435 580.4746083
582.7841998 584.0040315 586.3783126 586.7015432 591.0665528
592.8487811 593.7111148 594.8469283 596.7925959 596.8849660
599.5034318 602.4618231 603.5643368 604.5024804 606.4999130
607.9580715 608.2740703 609.0299915 610.3073757 615.0384693
616.7205406 618.5652571 618.9574828 620.9236054 625.3551782
625.5096953 627.6742979 629.7698114 632.8111373 634.3167703
636.2009164 639.8209966 641.7117642 641.8053399 643.6652139
644.5453517 646.1751133 648.4745834 649.6902455 650.0911899
652.5111201 653.6624520 654.4645632 655.7397245 657.8626232
659.1307803 661.7976897 663.5326595 664.3188113 665.6519017
666.6623103 669.1815961 670.5788326 671.7034594 672.5079814
674.5185037 676.1224939 677.1477439 678.1131953 679.2349909
681.5277129 682.3960732 684.2570028 684.6039799 686.6429796
687.5732102 689.0119635 690.3219135 690.4468225 690.6082501
693.7689540 695.0573264 697.0350199 699.6777576 700.7694419
701.5682028 702.8482913 704.4693969 704.9899308 706.7980945
707.1230260 708.5245745 710.7887669 712.2818144 713.2752050
714.2148747 715.8461385 716.7388894 717.8779690 720.4138346
722.2739685 724.2554144 724.7353331 726.7720322 726.9334351
728.2699307 729.5109874 730.2656631 731.6939131 732.5576657
733.7459521 733.8965564 734.7537126 736.6464914 737.2277074
738.3275955 740.5460672 742.3726914 743.7622783 744.1791482
744.5441624 746.6461984 747.3326671 749.2950804 750.8019671
752.6513984 753.8761039 754.7570649 755.5658245 756.4581431
758.2046318 760.5679938 761.7466817 762.4403441 764.0931933
764.6374640 765.9663137 766.3562191 768.7771302 770.0126422
771.1711252 771.4537403 773.6331511 774.8787480 777.2904501
778.4623676 779.4101977 780.6786378 781.5662078 782.4537726
783.8092670 786.3900210 787.5024036 788.2784171 790.1824897
790.8239984 792.0803612 793.4617090 795.8148920 795.9336996
797.8530494 798.7561864 799.5123339 801.5441510 803.7231279
805.1641717 807.0247661 808.2952143 809.7449048 811.1413511
813.3499738 815.4543622 816.5247938 817.8432794 818.7823820
818.8531429 819.6367093 821.4062144 823.8253269 824.5519153
826.1122966 826.8044008 829.1646605 830.5581136 831.4409634
833.7612950 835.5774259 836.7821765 838.1722836 839.0560132
839.8196742 841.5297086 844.7681236 846.4430540 849.6633997
850.6549303 851.6974231 852.4007825 854.5250839 855.8487125
857.1535618 859.9605307 860.2587670 861.4366905 863.1871772
864.9392977 866.0654276 866.4047257 867.5636735 868.9650809
870.1042302 871.3647543 872.2299887 873.0880804 874.4818426
875.2136975 875.5157978 878.7610992 879.7361216 881.2609755
882.0547115 882.8312624 884.1172944 886.2000796 887.6114602
888.6659313 890.7056473 892.7494266 892.9443582 895.0702080
897.4509542 897.5189296 899.3857931 901.6562295 902.8308690
904.5175185 905.8107658 906.1171952 907.1742218 909.9714241
912.0853299 912.4430838 913.2352524 914.6962261 915.8335638
916.5230736 918.1277019 919.5234857 921.0976001 921.6495549
923.3584787 924.6303673 927.2388467 928.1892122 930.2140645
930.7020433 931.6743656 932.7055008 935.2750267 936.5609992
937.3950296 939.1126952 942.0472787 942.2068785 943.2833141
945.7803988 948.1791299 949.6811981 951.0355824 951.8135252
953.9436930 954.7019867 956.2400140 957.2946844 958.4798641
960.6613841 963.2857247 964.3261395 965.7214175 966.2352822
967.2000975 968.7599111 970.7787789 972.9556004 974.0017993
977.5934999 978.0439371 980.2287909 980.2593796 981.9060106
982.1075354 983.5979243 985.4316977 987.2426660 988.9051242
991.0564287 992.3626129 993.6941650 994.6332875 995.1266648
997.2501787 997.9742235 1000.0696698 1002.3855328 1002.7885772
1003.5713697 1004.8420325 1006.8815089 1007.7865542 1010.8732923
1012.0280615 1012.9371585 1014.4293945 1016.9167843 1017.7411585
1018.3529074 1021.4355683 1022.3954142 1025.8465110 1028.5351013
1029.4498633 1031.1272556 1032.2340631 1034.2072412 1035.1744850
1038.9761689 1039.6067284 1040.7836198 1042.2868425 1044.6769569
1045.1310143 1046.4073368 1048.4157889 1049.4672311 1052.5874296
1053.4531936 1055.5620601 1058.2267283 1059.1137999 1060.4101451
1064.4859783 1065.4210358 1066.1997782 1067.6724406 1070.3078484
1072.3017045 1073.7274827 1074.9062267 1075.9858272 1080.0953574
1081.5501205 1082.9864802 1083.4757532 1085.2988024 1087.6486142
1090.1519621 1091.2491512 1093.3930886 1094.9670878 1096.9071404
1097.6300067 1099.4375026 1100.2729437 1103.3861235 1105.6781524
1107.3804343 1109.7549566 1111.6497883 1112.7882910 1116.0469087
1117.3832779 1120.0922019 1121.0447151 1125.0154216 1127.7498690
1128.9760717 1130.3998135 1133.0337687 1136.3200685 1137.5578621
1140.4421122 1141.2120738 1143.5735793 1149.5278342 1152.1475929
1153.9316795 1154.7943327 1156.4808268 1159.6411195 1161.2273088
1161.8701799 1164.2664458 1168.2452141 1169.5291196 1171.0297554
1172.7739572 1173.9398472 1177.1118885 1177.6937177 1181.5272334
1185.0805915 1188.9608669 1189.4701821 1192.0366850 1193.8459483
1198.5339740 1201.7905216 1203.3307868 1207.8126770 1208.9157377
1211.7551328 1215.1164759 1215.8635313 1220.2698755 1225.5012693
1228.4699253 1228.7441181 1239.6274124 1241.8819274 1244.2696770
1254.9399156 1256.1361815 1257.6972367 1264.8493928 1266.1112793
1273.4194514 1277.6515376 1278.8290454 1283.1153057 1288.3158372
1298.5335264 1300.7325511 1306.8094973 1315.1263915 1332.1278217
1338.6473332 1352.0600695 1369.4592149 1376.7314360 1391.3293704
1426.8953301
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 240504104259320993.eigenfacs
Openam> file on opening on unit 10:
240504104259320993.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 240504104259320993.atom
Openam> file on opening on unit 11:
240504104259320993.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 = 188
First residue number = 96
Last residue number = 288
Number of atoms found = 192
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: 9.9317E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9533E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9800E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0000E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0042E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0063E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5008
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5513
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8591
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9548
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.136
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.198
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.533
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 1.580
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 1.746
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 2.172
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 2.370
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 2.582
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 2.801
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 3.015
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 3.065
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 3.246
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 3.547
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 3.625
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 3.877
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 3.964
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 4.233
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 4.280
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 4.350
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 4.639
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 4.744
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 5.505
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 5.594
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 5.797
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 6.094
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 6.201
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 6.398
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 6.552
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 6.845
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 7.216
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 7.284
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 7.524
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 7.992
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 8.122
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 8.364
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 8.602
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 8.798
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 8.954
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 9.182
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 9.634
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 9.747
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 10.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 10.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 10.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 10.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 10.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 11.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 11.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 11.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 11.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 11.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 12.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 12.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 12.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 12.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 13.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 13.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 13.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 13.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 14.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 14.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 14.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 14.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 15.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 15.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 15.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 15.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 16.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 16.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 16.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 16.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 16.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 17.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 17.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 17.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 17.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 17.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 17.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 17.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 18.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 18.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 18.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 19.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 19.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 19.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 19.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 20.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 20.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 20.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 20.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 20.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 20.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 21.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 21.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 21.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 22.05
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 576 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 : 0.500800
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= 0.643 for 192 C-alpha atoms.
Bfactors> = 1.677 +/- 3.00
Bfactors> = 19.263 +/- 8.97
Bfactors> Shiftng-fct= 17.585
Bfactors> Scaling-fct= 2.990
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 240504104259320993 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=-80
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=-60
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=-40
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=-20
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=0
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=20
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=40
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=60
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=80
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=100
240504104259320993.eigenfacs
240504104259320993.atom
making animated gifs
11 models are in 240504104259320993.7.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 240504104259320993.7.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 240504104259320993.7.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 240504104259320993 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=-80
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=-60
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=-40
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=-20
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=0
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=20
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=40
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=60
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=80
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=100
240504104259320993.eigenfacs
240504104259320993.atom
making animated gifs
11 models are in 240504104259320993.8.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 240504104259320993.8.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 240504104259320993.8.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 240504104259320993 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=-80
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=-60
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=-40
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=-20
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=0
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=20
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=40
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=60
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=80
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=100
240504104259320993.eigenfacs
240504104259320993.atom
making animated gifs
11 models are in 240504104259320993.9.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 240504104259320993.9.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 240504104259320993.9.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 240504104259320993 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=-80
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=-60
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=-40
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=-20
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=0
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=20
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=40
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=60
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=80
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=100
240504104259320993.eigenfacs
240504104259320993.atom
making animated gifs
11 models are in 240504104259320993.10.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 240504104259320993.10.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 240504104259320993.10.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 240504104259320993 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=-80
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=-60
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=-40
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=-20
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=0
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=20
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=40
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=60
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=80
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=100
240504104259320993.eigenfacs
240504104259320993.atom
making animated gifs
11 models are in 240504104259320993.11.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 240504104259320993.11.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 240504104259320993.11.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 240504104259320993 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=-80
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=-60
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=-40
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=-20
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=0
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=20
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=40
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=60
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=80
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=100
240504104259320993.eigenfacs
240504104259320993.atom
making animated gifs
11 models are in 240504104259320993.12.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 240504104259320993.12.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 240504104259320993.12.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 240504104259320993 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=-80
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=-60
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=-40
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=-20
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=0
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=20
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=40
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=60
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=80
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=100
240504104259320993.eigenfacs
240504104259320993.atom
making animated gifs
11 models are in 240504104259320993.13.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 240504104259320993.13.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 240504104259320993.13.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 240504104259320993 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=-80
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=-60
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=-40
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=-20
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=0
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=20
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=40
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=60
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=80
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=100
240504104259320993.eigenfacs
240504104259320993.atom
making animated gifs
11 models are in 240504104259320993.14.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 240504104259320993.14.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 240504104259320993.14.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 240504104259320993 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=-80
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=-60
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=-40
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=-20
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=0
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=20
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=40
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=60
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=80
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=100
240504104259320993.eigenfacs
240504104259320993.atom
making animated gifs
11 models are in 240504104259320993.15.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 240504104259320993.15.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 240504104259320993.15.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 240504104259320993 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=-80
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=-60
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=-40
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=-20
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=0
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=20
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=40
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=60
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=80
240504104259320993.eigenfacs
240504104259320993.atom
calculating perturbed structure for DQ=100
240504104259320993.eigenfacs
240504104259320993.atom
making animated gifs
11 models are in 240504104259320993.16.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 240504104259320993.16.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 240504104259320993.16.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
240504104259320993.10.pdb
240504104259320993.11.pdb
240504104259320993.12.pdb
240504104259320993.13.pdb
240504104259320993.14.pdb
240504104259320993.15.pdb
240504104259320993.16.pdb
240504104259320993.7.pdb
240504104259320993.8.pdb
240504104259320993.9.pdb
STDERR:
real 0m2.762s
user 0m2.741s
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: 240504104259320993.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
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If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 25th, 2023.
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