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***  sec_alpha_ABC_433_70_109_02  ***

LOGs for ID: 2607192324172695383

Output from eigenvector calculation:


STDOUT:
CUTOFF set to default value (CUTOFF=8) 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 = 2607192324172695383.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 2607192324172695383.atom to be opened. Openam> File opened: 2607192324172695383.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 = 609 First residue number = 1 Last residue number = 109 Number of atoms found = 9583 Mean number per residue = 15.7 Pdbmat> Coordinate statistics: = 0.624584 +/- 13.802687 From: -30.885000 To: 43.051000 = 0.527145 +/- 13.754986 From: -44.471000 To: 38.277000 = -2.321247 +/- 20.027059 From: -63.680000 To: 42.593000 Pdbmat> Masses are all set to one. Openam> File opened: pdbmat.xyzm Pdbmat> Coordinates and masses considered are saved. Openam> File opened: pdbmat.sdijb Pdbmat> Matrix statistics: Pdbmat> The matrix is 1.5998 % Filled. Pdbmat> 6611454 non-zero elements. Pdbmat> 728334 atom-atom interactions. Pdbmat> Number per atom= 152.01 +/- 50.08 Maximum number = 246 Minimum number = 17 Pdbmat> Matrix trace = 1.456668E+07 Pdbmat> Larger element = 886.694 Pdbmat> 0 elements larger than +/- 1.0E+10 Pdbmat> Normal end. automatic determination of NRBL (NRBL = nresidues/200 + 1) 609 non-zero elements, NRBL set to 4 Diagonalize Tirion matrix using diagrtb Diagrtb> Diagonalizes a matrix, using the RTB/BNM approximation. Diagrtb> Version 2.52, November 2004. Diagrtb> Options to be read in diagrtb.dat file. Diagrtb> Options taken into account: MATRix filename = pdbmat.sdijb COORdinates filename = 2607192324172695383.atom Eigenvector OUTPut file = matrix.eigenrtb Nb of VECTors required = 106 EigeNVALues chosen = LOWE Type of SUBStructuring = NONE Nb of residues per BLOck = 4 Origin of MASS values = CONS MATRix FORMat = BINA Temporary files cleaning = ALL Output PRINting level = 2 Diagrtb> Memory allocation for Blocpdb. Blocpdb> Entering in. Openam> file on opening on unit 10: diagrtb_work.xyzm Blocpdb> Coordinate file 2607192324172695383.atom to be opened. Openam> file on opening on unit 11: 2607192324172695383.atom Blocpdb> Coordinate file in PDB format. Blocpdb> 9583 atoms picked in pdb file. Blocpdb> All masses set to unity. Blocpdb> Coordinate file is rewritten. Blocpdb> Substructuring: Blocpdb> 4 residue(s) per block. Blocpdb> 609 residues. Blocpdb> 56 atoms in block 1 Block first atom: 1 Blocpdb> 55 atoms in block 2 Block first atom: 57 Blocpdb> 56 atoms in block 3 Block first atom: 112 Blocpdb> 75 atoms in block 4 Block first atom: 168 Blocpdb> 72 atoms in block 5 Block first atom: 243 Blocpdb> 64 atoms in block 6 Block first atom: 315 Blocpdb> 71 atoms in block 7 Block first atom: 379 Blocpdb> 68 atoms in block 8 Block first atom: 450 Blocpdb> 56 atoms in block 9 Block first atom: 518 Blocpdb> 55 atoms in block 10 Block first atom: 574 Blocpdb> 62 atoms in block 11 Block first atom: 629 Blocpdb> 41 atoms in block 12 Block first atom: 691 Blocpdb> 47 atoms in block 13 Block first atom: 732 Blocpdb> 65 atoms in block 14 Block first atom: 779 Blocpdb> 61 atoms in block 15 Block first atom: 844 Blocpdb> 43 atoms in block 16 Block first atom: 905 Blocpdb> 62 atoms in block 17 Block first atom: 948 Blocpdb> 68 atoms in block 18 Block first atom: 1010 Blocpdb> 61 atoms in block 19 Block first atom: 1078 Blocpdb> 67 atoms in block 20 Block first atom: 1139 Blocpdb> 65 atoms in block 21 Block first atom: 1206 Blocpdb> 66 atoms in block 22 Block first atom: 1271 Blocpdb> 59 atoms in block 23 Block first atom: 1337 Blocpdb> 62 atoms in block 24 Block first atom: 1396 Blocpdb> 70 atoms in block 25 Block first atom: 1458 Blocpdb> 48 atoms in block 26 Block first atom: 1528 Blocpdb> 80 atoms in block 27 Block first atom: 1576 Blocpdb> 60 atoms in block 28 Block first atom: 1656 Blocpdb> 75 atoms in block 29 Block first atom: 1716 Blocpdb> 57 atoms in block 30 Block first atom: 1791 Blocpdb> 53 atoms in block 31 Block first atom: 1848 Blocpdb> 73 atoms in block 32 Block first atom: 1901 Blocpdb> 60 atoms in block 33 Block first atom: 1974 Blocpdb> 66 atoms in block 34 Block first atom: 2034 Blocpdb> 60 atoms in block 35 Block first atom: 2100 Blocpdb> 65 atoms in block 36 Block first atom: 2160 Blocpdb> 57 atoms in block 37 Block first atom: 2225 Blocpdb> 76 atoms in block 38 Block first atom: 2282 Blocpdb> 48 atoms in block 39 Block first atom: 2358 Blocpdb> 55 atoms in block 40 Block first atom: 2406 Blocpdb> 70 atoms in block 41 Block first atom: 2461 Blocpdb> 69 atoms in block 42 Block first atom: 2531 Blocpdb> 72 atoms in block 43 Block first atom: 2600 Blocpdb> 58 atoms in block 44 Block first atom: 2672 Blocpdb> 47 atoms in block 45 Block first atom: 2730 Blocpdb> 68 atoms in block 46 Block first atom: 2777 Blocpdb> 62 atoms in block 47 Block first atom: 2845 Blocpdb> 64 atoms in block 48 Block first atom: 2907 Blocpdb> 55 atoms in block 49 Block first atom: 2971 Blocpdb> 58 atoms in block 50 Block first atom: 3026 Blocpdb> 67 atoms in block 51 Block first atom: 3084 Blocpdb> 52 atoms in block 52 Block first atom: 3151 Blocpdb> 53 atoms in block 53 Block first atom: 3203 Blocpdb> 63 atoms in block 54 Block first atom: 3256 Blocpdb> 68 atoms in block 55 Block first atom: 3319 Blocpdb> 69 atoms in block 56 Block first atom: 3387 Blocpdb> 76 atoms in block 57 Block first atom: 3456 Blocpdb> 79 atoms in block 58 Block first atom: 3532 Blocpdb> 78 atoms in block 59 Block first atom: 3611 Blocpdb> 69 atoms in block 60 Block first atom: 3689 Blocpdb> 81 atoms in block 61 Block first atom: 3758 Blocpdb> 45 atoms in block 62 Block first atom: 3839 Blocpdb> 79 atoms in block 63 Block first atom: 3884 Blocpdb> 45 atoms in block 64 Block first atom: 3963 Blocpdb> 73 atoms in block 65 Block first atom: 4008 Blocpdb> 69 atoms in block 66 Block first atom: 4081 Blocpdb> 52 atoms in block 67 Block first atom: 4150 Blocpdb> 67 atoms in block 68 Block first atom: 4202 Blocpdb> 53 atoms in block 69 Block first atom: 4269 Blocpdb> 60 atoms in block 70 Block first atom: 4322 Blocpdb> 65 atoms in block 71 Block first atom: 4382 Blocpdb> 44 atoms in block 72 Block first atom: 4447 Blocpdb> 44 atoms in block 73 Block first atom: 4491 Blocpdb> 62 atoms in block 74 Block first atom: 4535 Blocpdb> 83 atoms in block 75 Block first atom: 4597 Blocpdb> 56 atoms in block 76 Block first atom: 4680 Blocpdb> 66 atoms in block 77 Block first atom: 4736 Blocpdb> 64 atoms in block 78 Block first atom: 4802 Blocpdb> 67 atoms in block 79 Block first atom: 4866 Blocpdb> 71 atoms in block 80 Block first atom: 4933 Blocpdb> 75 atoms in block 81 Block first atom: 5004 Blocpdb> 66 atoms in block 82 Block first atom: 5079 Blocpdb> 63 atoms in block 83 Block first atom: 5145 Blocpdb> 57 atoms in block 84 Block first atom: 5208 Blocpdb> 77 atoms in block 85 Block first atom: 5265 Blocpdb> 50 atoms in block 86 Block first atom: 5342 Blocpdb> 67 atoms in block 87 Block first atom: 5392 Blocpdb> 53 atoms in block 88 Block first atom: 5459 Blocpdb> 72 atoms in block 89 Block first atom: 5512 Blocpdb> 65 atoms in block 90 Block first atom: 5584 Blocpdb> 69 atoms in block 91 Block first atom: 5649 Blocpdb> 56 atoms in block 92 Block first atom: 5718 Blocpdb> 69 atoms in block 93 Block first atom: 5774 Blocpdb> 54 atoms in block 94 Block first atom: 5843 Blocpdb> 61 atoms in block 95 Block first atom: 5897 Blocpdb> 59 atoms in block 96 Block first atom: 5958 Blocpdb> 58 atoms in block 97 Block first atom: 6017 Blocpdb> 64 atoms in block 98 Block first atom: 6075 Blocpdb> 39 atoms in block 99 Block first atom: 6139 Blocpdb> 77 atoms in block 100 Block first atom: 6178 Blocpdb> 65 atoms in block 101 Block first atom: 6255 Blocpdb> 60 atoms in block 102 Block first atom: 6320 Blocpdb> 61 atoms in block 103 Block first atom: 6380 Blocpdb> 68 atoms in block 104 Block first atom: 6441 Blocpdb> 63 atoms in block 105 Block first atom: 6509 Blocpdb> 57 atoms in block 106 Block first atom: 6572 Blocpdb> 70 atoms in block 107 Block first atom: 6629 Blocpdb> 87 atoms in block 108 Block first atom: 6699 Blocpdb> 39 atoms in block 109 Block first atom: 6786 Blocpdb> 68 atoms in block 110 Block first atom: 6825 Blocpdb> 54 atoms in block 111 Block first atom: 6893 Blocpdb> 74 atoms in block 112 Block first atom: 6947 Blocpdb> 58 atoms in block 113 Block first atom: 7021 Blocpdb> 64 atoms in block 114 Block first atom: 7079 Blocpdb> 63 atoms in block 115 Block first atom: 7143 Blocpdb> 69 atoms in block 116 Block first atom: 7206 Blocpdb> 64 atoms in block 117 Block first atom: 7275 Blocpdb> 74 atoms in block 118 Block first atom: 7339 Blocpdb> 73 atoms in block 119 Block first atom: 7413 Blocpdb> 62 atoms in block 120 Block first atom: 7486 Blocpdb> 60 atoms in block 121 Block first atom: 7548 Blocpdb> 58 atoms in block 122 Block first atom: 7608 Blocpdb> 68 atoms in block 123 Block first atom: 7666 Blocpdb> 78 atoms in block 124 Block first atom: 7734 Blocpdb> 70 atoms in block 125 Block first atom: 7812 Blocpdb> 60 atoms in block 126 Block first atom: 7882 Blocpdb> 21 atoms in block 127 Block first atom: 7942 Blocpdb> 66 atoms in block 128 Block first atom: 7963 Blocpdb> 58 atoms in block 129 Block first atom: 8029 Blocpdb> 63 atoms in block 130 Block first atom: 8087 Blocpdb> 63 atoms in block 131 Block first atom: 8150 Blocpdb> 68 atoms in block 132 Block first atom: 8213 Blocpdb> 73 atoms in block 133 Block first atom: 8281 Blocpdb> 71 atoms in block 134 Block first atom: 8354 Blocpdb> 51 atoms in block 135 Block first atom: 8425 Blocpdb> 52 atoms in block 136 Block first atom: 8476 Blocpdb> 41 atoms in block 137 Block first atom: 8528 Blocpdb> 56 atoms in block 138 Block first atom: 8569 Blocpdb> 54 atoms in block 139 Block first atom: 8625 Blocpdb> 60 atoms in block 140 Block first atom: 8679 Blocpdb> 44 atoms in block 141 Block first atom: 8739 Blocpdb> 71 atoms in block 142 Block first atom: 8783 Blocpdb> 59 atoms in block 143 Block first atom: 8854 Blocpdb> 46 atoms in block 144 Block first atom: 8913 Blocpdb> 69 atoms in block 145 Block first atom: 8959 Blocpdb> 71 atoms in block 146 Block first atom: 9028 Blocpdb> 51 atoms in block 147 Block first atom: 9099 Blocpdb> 74 atoms in block 148 Block first atom: 9150 Blocpdb> 66 atoms in block 149 Block first atom: 9224 Blocpdb> 65 atoms in block 150 Block first atom: 9290 Blocpdb> 55 atoms in block 151 Block first atom: 9355 Blocpdb> 50 atoms in block 152 Block first atom: 9410 Blocpdb> 43 atoms in block 153 Block first atom: 9460 Blocpdb> 65 atoms in block 154 Block first atom: 9503 Blocpdb> 16 atoms in block 155 Block first atom: 9567 Blocpdb> 155 blocks. Blocpdb> At most, 87 atoms in each of them. Blocpdb> At least, 16 atoms in each of them. Blocpdb> Normal end of Blocpdb. Diagrtb> Memory allocation for Prepmat. Diagrtb> Memory allocation for RTB. Diagrtb> Memory allocation for Diagstd. Diagrtb> Memory allocation for RTB_to_modes. Prepmat> Entering in. Prepmat> Rewriting of the matrix begins. Prepmat> 6611609 matrix lines read. Prepmat> Matrix order = 28749 Prepmat> Matrix trace = 14566680.0000 Prepmat> Last element read: 28749 28749 89.7431 Prepmat> 12091 lines saved. Prepmat> 10626 empty lines. Prepmat> Number of lines on output is as expected. Prepmat> Normal end of Prepmat. RTB> Entering in. RTB> Number of atoms found in temporary coordinate file: 9583 RTB> Total mass = 9583.0000 RTB> Number of atoms found in matrix: 9583 RTB> Number of blocks = 155 RTB> Projection begins. RTB> Projected matrix is being saved. RTB> Projected matrix trace = 335895.6927 RTB> 50379 non-zero elements. RTB> Normal end of RTB. Diagstd> Entering in. Openam> file on opening on unit 10: diagrtb_work.sdijb Diagstd> Projected matrix to be read from file: diagrtb_work.sdijb Diagstd> CERFACS matrix format. Diagstd> Projected matrix order = 930 Diagstd> Nb of non-zero elements: 50379 Diagstd> Projected matrix trace = 335895.6927 Openam> file on opening on unit 11: diagrtb_work.eigenfacs Diagstd> Diagonalization. Diagstd> 930 eigenvectors are computed. Diagstd> 106 of them to be saved. Diagstd> Sum of eigenvalues = 335895.6927 Diagstd> Best zero-eigenvalue found : 0.000000 Diagstd> 6 zero-eigenvalues, that is, below or equal to: 0.0000000 Diagstd> Selected eigenvalues: 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.1088279 0.1513150 0.4664017 0.8333897 1.2053543 1.2989996 1.5791531 1.7099507 1.8146146 2.1329672 2.2242464 3.0654300 4.1462068 4.4524933 5.5479780 5.8596200 6.5476114 6.5556155 6.8748913 7.1011671 7.2081442 7.9440600 8.1382473 8.8351984 8.8673112 9.8733312 10.2842610 10.8314642 12.6394029 12.7604907 13.6593529 14.5564954 15.4016755 16.0793074 16.6823250 16.9087494 18.3024045 19.1687135 19.6889781 20.7938602 21.3298320 22.2231309 23.0175154 23.4362006 24.2923361 25.1176934 26.1648560 26.7454843 27.4122515 28.2787179 28.8079556 30.2821142 31.2192662 31.8436498 32.0326224 32.9462425 33.9682127 34.5764820 35.3298976 36.2370096 36.7579364 38.2361414 38.4359112 39.9088046 40.8681884 42.4772814 42.6487004 43.8157935 44.3435734 45.7488871 47.1587701 47.4074836 48.5337276 50.0139603 50.5742810 51.1840798 52.5286242 53.6114304 54.3776908 55.2131354 55.6414119 56.8264939 57.4964405 59.0789856 59.4716078 60.6877375 62.3215953 62.6884914 64.2262692 64.5981984 65.3432816 66.4111378 66.8011535 67.9373785 68.3998908 68.8136325 69.7001550 70.3968230 71.2890300 72.6318791 Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units): 0.0034316 0.0034324 0.0034339 0.0034349 0.0034355 0.0034374 35.8232780 42.2412084 74.1609591 99.1332488 119.2209648 123.7655516 136.4606405 141.9995858 146.2808522 158.5942264 161.9521550 190.1257671 221.1163020 229.1378948 255.7776814 262.8633298 277.8668434 278.0366298 284.7267029 289.3744251 291.5459505 306.0670215 309.7852405 322.7776328 323.3636933 341.2142287 348.2425421 357.3870928 386.0633358 387.9082067 401.3380566 414.3083575 426.1664577 435.4406296 443.5305813 446.5303929 464.5680670 475.4356723 481.8444582 495.1797085 501.5208555 511.9150554 520.9841392 525.7010978 535.2170264 544.2333577 555.4621295 561.5914840 568.5486519 577.4642973 582.8428857 597.5694368 606.7455863 612.7829878 614.5985446 623.3015767 632.8949470 638.5364330 645.4557433 653.6894201 658.3712248 671.4788064 673.2306367 686.0087260 694.2053777 707.7398292 709.1664495 718.8042248 723.1204170 734.4894246 745.7212442 747.6851100 756.5142350 767.9640721 772.2539511 776.8957226 787.0336356 795.1040722 800.7660657 806.8939987 810.0174057 818.5980598 823.4092850 834.6642168 837.4330953 845.9520626 857.2639504 859.7836651 870.2652212 872.7814020 877.8003527 884.9439017 887.5386225 895.0548965 898.0964598 900.8085970 906.5925634 911.1120912 916.8676150 925.4627019 Diagstd> Normal end. Rtb_to_modes> Entering in. Rtb_to_modes> Number of atoms in temporary block-file = 9583 Rtb_to_modes> Number of blocs = 155 Openam> file on opening on unit 10: diagrtb_work.eigenfacs Openam> file on opening on unit 11: matrix.eigenrtb Rdmodfacs> Entering in. Rdmodfacs> Old Blzpack file format detected. Rdmodfacs> Eigenvector number: 1 Rdmodfacs> Corresponding eigenvalue: 9.9863E-10 Rdmodfacs> Eigenvector number: 2 Rdmodfacs> Corresponding eigenvalue: 9.9911E-10 Rdmodfacs> Eigenvector number: 3 Rdmodfacs> Corresponding eigenvalue: 9.9999E-10 Rdmodfacs> Eigenvector number: 4 Rdmodfacs> Corresponding eigenvalue: 1.0005E-09 Rdmodfacs> Eigenvector number: 5 Rdmodfacs> Corresponding eigenvalue: 1.0009E-09 Rdmodfacs> Eigenvector number: 6 Rdmodfacs> Corresponding eigenvalue: 1.0020E-09 Rdmodfacs> Eigenvector number: 7 Rdmodfacs> Corresponding eigenvalue: 0.1088 Rdmodfacs> Eigenvector number: 8 Rdmodfacs> Corresponding eigenvalue: 0.1513 Rdmodfacs> Eigenvector number: 9 Rdmodfacs> Corresponding eigenvalue: 0.4664 Rdmodfacs> Eigenvector number: 10 Rdmodfacs> Corresponding eigenvalue: 0.8334 Rdmodfacs> Eigenvector number: 11 Rdmodfacs> Corresponding eigenvalue: 1.205 Rdmodfacs> Eigenvector number: 12 Rdmodfacs> Corresponding eigenvalue: 1.299 Rdmodfacs> Eigenvector number: 13 Rdmodfacs> Corresponding eigenvalue: 1.579 Rdmodfacs> Eigenvector number: 14 Rdmodfacs> Corresponding eigenvalue: 1.710 Rdmodfacs> Eigenvector number: 15 Rdmodfacs> Corresponding eigenvalue: 1.815 Rdmodfacs> Eigenvector number: 16 Rdmodfacs> Corresponding eigenvalue: 2.133 Rdmodfacs> Eigenvector number: 17 Rdmodfacs> Corresponding eigenvalue: 2.224 Rdmodfacs> Eigenvector number: 18 Rdmodfacs> Corresponding eigenvalue: 3.065 Rdmodfacs> Eigenvector number: 19 Rdmodfacs> Corresponding eigenvalue: 4.146 Rdmodfacs> Eigenvector number: 20 Rdmodfacs> Corresponding eigenvalue: 4.452 Rdmodfacs> Eigenvector number: 21 Rdmodfacs> Corresponding eigenvalue: 5.548 Rdmodfacs> Eigenvector number: 22 Rdmodfacs> Corresponding eigenvalue: 5.860 Rdmodfacs> Eigenvector number: 23 Rdmodfacs> Corresponding eigenvalue: 6.548 Rdmodfacs> Eigenvector number: 24 Rdmodfacs> Corresponding eigenvalue: 6.556 Rdmodfacs> Eigenvector number: 25 Rdmodfacs> Corresponding eigenvalue: 6.875 Rdmodfacs> Eigenvector number: 26 Rdmodfacs> Corresponding eigenvalue: 7.101 Rdmodfacs> Eigenvector number: 27 Rdmodfacs> Corresponding eigenvalue: 7.208 Rdmodfacs> Eigenvector number: 28 Rdmodfacs> Corresponding eigenvalue: 7.944 Rdmodfacs> Eigenvector number: 29 Rdmodfacs> Corresponding eigenvalue: 8.138 Rdmodfacs> Eigenvector number: 30 Rdmodfacs> Corresponding eigenvalue: 8.835 Rdmodfacs> Eigenvector number: 31 Rdmodfacs> Corresponding eigenvalue: 8.867 Rdmodfacs> Eigenvector number: 32 Rdmodfacs> Corresponding eigenvalue: 9.873 Rdmodfacs> Eigenvector number: 33 Rdmodfacs> Corresponding eigenvalue: 10.28 Rdmodfacs> Eigenvector number: 34 Rdmodfacs> Corresponding eigenvalue: 10.83 Rdmodfacs> Eigenvector number: 35 Rdmodfacs> Corresponding eigenvalue: 12.64 Rdmodfacs> Eigenvector number: 36 Rdmodfacs> Corresponding eigenvalue: 12.76 Rdmodfacs> Eigenvector number: 37 Rdmodfacs> Corresponding eigenvalue: 13.66 Rdmodfacs> Eigenvector number: 38 Rdmodfacs> Corresponding eigenvalue: 14.56 Rdmodfacs> Eigenvector number: 39 Rdmodfacs> Corresponding eigenvalue: 15.40 Rdmodfacs> Eigenvector number: 40 Rdmodfacs> Corresponding eigenvalue: 16.08 Rdmodfacs> Eigenvector number: 41 Rdmodfacs> Corresponding eigenvalue: 16.68 Rdmodfacs> Eigenvector number: 42 Rdmodfacs> Corresponding eigenvalue: 16.91 Rdmodfacs> Eigenvector number: 43 Rdmodfacs> Corresponding eigenvalue: 18.30 Rdmodfacs> Eigenvector number: 44 Rdmodfacs> Corresponding eigenvalue: 19.17 Rdmodfacs> Eigenvector number: 45 Rdmodfacs> Corresponding eigenvalue: 19.69 Rdmodfacs> Eigenvector number: 46 Rdmodfacs> Corresponding eigenvalue: 20.79 Rdmodfacs> Eigenvector number: 47 Rdmodfacs> Corresponding eigenvalue: 21.33 Rdmodfacs> Eigenvector number: 48 Rdmodfacs> Corresponding eigenvalue: 22.22 Rdmodfacs> Eigenvector number: 49 Rdmodfacs> Corresponding eigenvalue: 23.02 Rdmodfacs> Eigenvector number: 50 Rdmodfacs> Corresponding eigenvalue: 23.44 Rdmodfacs> Eigenvector number: 51 Rdmodfacs> Corresponding eigenvalue: 24.29 Rdmodfacs> Eigenvector number: 52 Rdmodfacs> Corresponding eigenvalue: 25.12 Rdmodfacs> Eigenvector number: 53 Rdmodfacs> Corresponding eigenvalue: 26.16 Rdmodfacs> Eigenvector number: 54 Rdmodfacs> Corresponding eigenvalue: 26.75 Rdmodfacs> Eigenvector number: 55 Rdmodfacs> Corresponding eigenvalue: 27.41 Rdmodfacs> Eigenvector number: 56 Rdmodfacs> Corresponding eigenvalue: 28.28 Rdmodfacs> Eigenvector number: 57 Rdmodfacs> Corresponding eigenvalue: 28.81 Rdmodfacs> Eigenvector number: 58 Rdmodfacs> Corresponding eigenvalue: 30.28 Rdmodfacs> Eigenvector number: 59 Rdmodfacs> Corresponding eigenvalue: 31.22 Rdmodfacs> Eigenvector number: 60 Rdmodfacs> Corresponding eigenvalue: 31.84 Rdmodfacs> Eigenvector number: 61 Rdmodfacs> Corresponding eigenvalue: 32.03 Rdmodfacs> Eigenvector number: 62 Rdmodfacs> Corresponding eigenvalue: 32.95 Rdmodfacs> Eigenvector number: 63 Rdmodfacs> Corresponding eigenvalue: 33.97 Rdmodfacs> Eigenvector number: 64 Rdmodfacs> Corresponding eigenvalue: 34.58 Rdmodfacs> Eigenvector number: 65 Rdmodfacs> Corresponding eigenvalue: 35.33 Rdmodfacs> Eigenvector number: 66 Rdmodfacs> Corresponding eigenvalue: 36.24 Rdmodfacs> Eigenvector number: 67 Rdmodfacs> Corresponding eigenvalue: 36.76 Rdmodfacs> Eigenvector number: 68 Rdmodfacs> Corresponding eigenvalue: 38.24 Rdmodfacs> Eigenvector number: 69 Rdmodfacs> Corresponding eigenvalue: 38.44 Rdmodfacs> Eigenvector number: 70 Rdmodfacs> Corresponding eigenvalue: 39.91 Rdmodfacs> Eigenvector number: 71 Rdmodfacs> Corresponding eigenvalue: 40.87 Rdmodfacs> Eigenvector number: 72 Rdmodfacs> Corresponding eigenvalue: 42.48 Rdmodfacs> Eigenvector number: 73 Rdmodfacs> Corresponding eigenvalue: 42.65 Rdmodfacs> Eigenvector number: 74 Rdmodfacs> Corresponding eigenvalue: 43.82 Rdmodfacs> Eigenvector number: 75 Rdmodfacs> Corresponding eigenvalue: 44.34 Rdmodfacs> Eigenvector number: 76 Rdmodfacs> Corresponding eigenvalue: 45.75 Rdmodfacs> Eigenvector number: 77 Rdmodfacs> Corresponding eigenvalue: 47.16 Rdmodfacs> Eigenvector number: 78 Rdmodfacs> Corresponding eigenvalue: 47.41 Rdmodfacs> Eigenvector number: 79 Rdmodfacs> Corresponding eigenvalue: 48.53 Rdmodfacs> Eigenvector number: 80 Rdmodfacs> Corresponding eigenvalue: 50.01 Rdmodfacs> Eigenvector number: 81 Rdmodfacs> Corresponding eigenvalue: 50.57 Rdmodfacs> Eigenvector number: 82 Rdmodfacs> Corresponding eigenvalue: 51.18 Rdmodfacs> Eigenvector number: 83 Rdmodfacs> Corresponding eigenvalue: 52.53 Rdmodfacs> Eigenvector number: 84 Rdmodfacs> Corresponding eigenvalue: 53.61 Rdmodfacs> Eigenvector number: 85 Rdmodfacs> Corresponding eigenvalue: 54.38 Rdmodfacs> Eigenvector number: 86 Rdmodfacs> Corresponding eigenvalue: 55.21 Rdmodfacs> Eigenvector number: 87 Rdmodfacs> Corresponding eigenvalue: 55.64 Rdmodfacs> Eigenvector number: 88 Rdmodfacs> Corresponding eigenvalue: 56.83 Rdmodfacs> Eigenvector number: 89 Rdmodfacs> Corresponding eigenvalue: 57.50 Rdmodfacs> Eigenvector number: 90 Rdmodfacs> Corresponding eigenvalue: 59.08 Rdmodfacs> Eigenvector number: 91 Rdmodfacs> Corresponding eigenvalue: 59.47 Rdmodfacs> Eigenvector number: 92 Rdmodfacs> Corresponding eigenvalue: 60.69 Rdmodfacs> Eigenvector number: 93 Rdmodfacs> Corresponding eigenvalue: 62.32 Rdmodfacs> Eigenvector number: 94 Rdmodfacs> Corresponding eigenvalue: 62.69 Rdmodfacs> Eigenvector number: 95 Rdmodfacs> Corresponding eigenvalue: 64.23 Rdmodfacs> Eigenvector number: 96 Rdmodfacs> Corresponding eigenvalue: 64.60 Rdmodfacs> Eigenvector number: 97 Rdmodfacs> Corresponding eigenvalue: 65.34 Rdmodfacs> Eigenvector number: 98 Rdmodfacs> Corresponding eigenvalue: 66.41 Rdmodfacs> Eigenvector number: 99 Rdmodfacs> Corresponding eigenvalue: 66.80 Rdmodfacs> Eigenvector number: 100 Rdmodfacs> Corresponding eigenvalue: 67.94 Rdmodfacs> Eigenvector number: 101 Rdmodfacs> Corresponding eigenvalue: 68.40 Rdmodfacs> Eigenvector number: 102 Rdmodfacs> Corresponding eigenvalue: 68.81 Rdmodfacs> Eigenvector number: 103 Rdmodfacs> Corresponding eigenvalue: 69.70 Rdmodfacs> Eigenvector number: 104 Rdmodfacs> Corresponding eigenvalue: 70.40 Rdmodfacs> Eigenvector number: 105 Rdmodfacs> Corresponding eigenvalue: 71.29 Rdmodfacs> Eigenvector number: 106 Rdmodfacs> Corresponding eigenvalue: 72.63 Rtb_to_modes> 106 vectors, with 930 coordinates in vector file. Norm of eigenvectors in projected coordinates (one expected): 0.99997 1.00001 0.99998 1.00000 1.00000 0.99998 1.00002 0.99998 1.00001 1.00002 0.99997 1.00000 1.00002 0.99998 1.00001 1.00001 0.99998 0.99999 0.99999 0.99999 0.99999 0.99999 0.99999 0.99999 1.00003 1.00001 0.99998 0.99998 1.00000 1.00001 1.00000 0.99998 1.00000 0.99998 1.00001 0.99999 0.99999 1.00001 1.00000 0.99999 1.00001 1.00003 1.00001 0.99999 1.00003 1.00002 0.99996 0.99999 1.00000 1.00006 1.00000 1.00000 1.00001 0.99998 0.99997 1.00000 0.99997 1.00001 1.00003 1.00000 0.99999 1.00000 1.00002 0.99997 1.00000 0.99998 1.00001 1.00000 0.99995 1.00003 0.99999 0.99999 0.99997 0.99999 1.00000 1.00002 0.99997 1.00000 1.00001 0.99999 0.99998 0.99999 1.00002 1.00000 1.00000 1.00002 0.99999 1.00000 0.99998 1.00000 0.99999 0.99998 1.00001 1.00000 1.00002 1.00001 1.00001 0.99998 0.99999 1.00000 1.00002 1.00002 1.00005 1.00001 0.99998 0.99999 Rtb_to_modes> RTB block-file is being read. Rtb_to_modes> 172494 lines found in RTB file. Norm of eigenvectors in cartesian coordinates (one expected): 0.99997 1.00001 0.99998 1.00000 1.00000 0.99998 1.00002 0.99998 1.00001 1.00002 0.99997 1.00000 1.00002 0.99998 1.00001 1.00001 0.99998 0.99999 0.99999 0.99999 0.99999 0.99999 0.99999 0.99999 1.00003 1.00001 0.99998 0.99998 1.00000 1.00001 1.00000 0.99998 1.00000 0.99998 1.00001 0.99999 0.99999 1.00001 1.00000 0.99999 1.00001 1.00003 1.00001 0.99999 1.00003 1.00002 0.99996 0.99999 1.00000 1.00006 1.00000 1.00000 1.00001 0.99998 0.99997 1.00000 0.99997 1.00001 1.00003 1.00000 0.99999 1.00000 1.00002 0.99997 1.00000 0.99998 1.00001 1.00000 0.99995 1.00003 0.99999 0.99999 0.99997 0.99999 1.00000 1.00002 0.99997 1.00000 1.00001 0.99999 0.99998 0.99999 1.00002 1.00000 1.00000 1.00002 0.99999 1.00000 0.99998 1.00000 0.99999 0.99998 1.00001 1.00000 1.00002 1.00001 1.00001 0.99998 0.99999 1.00000 1.00002 1.00002 1.00005 1.00001 0.99998 0.99999 Orthogonality of first eigenvectors (zero expected): Vector 2:-0.000 Vector 3: 0.000 0.000 Vector 4: 0.000 0.000-0.000 Vector 5:-0.000 0.000-0.000-0.000 Vector 6: 0.000 0.000-0.000-0.000-0.000 Vector 7: 0.000 0.000 0.000 0.000 0.000-0.000 Vector 8: 0.000-0.000 0.000 0.000-0.000 0.000-0.000 Vector 9:-0.000 0.000-0.000 0.000-0.000-0.000 0.000 0.000 Vector 10:-0.000-0.000 0.000-0.000 0.000 0.000-0.000 0.000 0.000 Rtb_to_modes> 106 eigenvectors saved. Rtb_to_modes> Normal end. Diagrtb> Normal end. B-factor analysis Bfactors> Version 1.22, Bordeaux. Getnam> Eigenvector filename ? Getnam> 2607192324172695383.eigenfacs Openam> file on opening on unit 10: 2607192324172695383.eigenfacs Getnam> Corresponding pdb filename ? Getnam> 2607192324172695383.atom Openam> file on opening on unit 11: 2607192324172695383.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 = 609 First residue number = 1 Last residue number = 109 Number of atoms found = 9583 Mean number per residue = 15.7 Rdmodfacs> Old Blzpack file format detected. Rdmodfacs> Numero du vecteur CERFACS en lecture: 1 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9863E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 2 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9911E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 3 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9999E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 4 Rdmodfacs> Valeur propre du vecteur en lecture: 1.0005E-09 Rdmodfacs> Numero du vecteur CERFACS en lecture: 5 Rdmodfacs> Valeur propre du vecteur en lecture: 1.0009E-09 Rdmodfacs> Numero du vecteur CERFACS en lecture: 6 Rdmodfacs> Valeur propre du vecteur en lecture: 1.0020E-09 Rdmodfacs> Numero du vecteur CERFACS en lecture: 7 Rdmodfacs> Valeur propre du vecteur en lecture: 0.1088 Rdmodfacs> Numero du vecteur CERFACS en lecture: 8 Rdmodfacs> Valeur propre du vecteur en lecture: 0.1513 Rdmodfacs> Numero du vecteur CERFACS en lecture: 9 Rdmodfacs> Valeur propre du vecteur en lecture: 0.4664 Rdmodfacs> Numero du vecteur CERFACS en lecture: 10 Rdmodfacs> Valeur propre du vecteur en lecture: 0.8334 Rdmodfacs> Numero du vecteur CERFACS en lecture: 11 Rdmodfacs> Valeur propre du vecteur en lecture: 1.205 Rdmodfacs> Numero du vecteur CERFACS en lecture: 12 Rdmodfacs> Valeur propre du vecteur en lecture: 1.299 Rdmodfacs> Numero du vecteur CERFACS en lecture: 13 Rdmodfacs> Valeur propre du vecteur en lecture: 1.579 Rdmodfacs> Numero du vecteur CERFACS en lecture: 14 Rdmodfacs> Valeur propre du vecteur en lecture: 1.710 Rdmodfacs> Numero du vecteur CERFACS en lecture: 15 Rdmodfacs> Valeur propre du vecteur en lecture: 1.815 Rdmodfacs> Numero du vecteur CERFACS en lecture: 16 Rdmodfacs> Valeur propre du vecteur en lecture: 2.133 Rdmodfacs> Numero du vecteur CERFACS en lecture: 17 Rdmodfacs> Valeur propre du vecteur en lecture: 2.224 Rdmodfacs> Numero du vecteur CERFACS en lecture: 18 Rdmodfacs> Valeur propre du vecteur en lecture: 3.065 Rdmodfacs> Numero du vecteur CERFACS en lecture: 19 Rdmodfacs> Valeur propre du vecteur en lecture: 4.146 Rdmodfacs> Numero du vecteur CERFACS en lecture: 20 Rdmodfacs> Valeur propre du vecteur en lecture: 4.452 Rdmodfacs> Numero du vecteur CERFACS en lecture: 21 Rdmodfacs> Valeur propre du vecteur en lecture: 5.548 Rdmodfacs> Numero du vecteur CERFACS en lecture: 22 Rdmodfacs> Valeur propre du vecteur en lecture: 5.860 Rdmodfacs> Numero du vecteur CERFACS en lecture: 23 Rdmodfacs> Valeur propre du vecteur en lecture: 6.548 Rdmodfacs> Numero du vecteur CERFACS en lecture: 24 Rdmodfacs> Valeur propre du vecteur en lecture: 6.556 Rdmodfacs> Numero du vecteur CERFACS en lecture: 25 Rdmodfacs> Valeur propre du vecteur en lecture: 6.875 Rdmodfacs> Numero du vecteur CERFACS en lecture: 26 Rdmodfacs> Valeur propre du vecteur en lecture: 7.101 Rdmodfacs> Numero du vecteur CERFACS en lecture: 27 Rdmodfacs> Valeur propre du vecteur en lecture: 7.208 Rdmodfacs> Numero du vecteur CERFACS en lecture: 28 Rdmodfacs> Valeur propre du vecteur en lecture: 7.944 Rdmodfacs> Numero du vecteur CERFACS en lecture: 29 Rdmodfacs> Valeur propre du vecteur en lecture: 8.138 Rdmodfacs> Numero du vecteur CERFACS en lecture: 30 Rdmodfacs> Valeur propre du vecteur en lecture: 8.835 Rdmodfacs> Numero du vecteur CERFACS en lecture: 31 Rdmodfacs> Valeur propre du vecteur en lecture: 8.867 Rdmodfacs> Numero du vecteur CERFACS en lecture: 32 Rdmodfacs> Valeur propre du vecteur en lecture: 9.873 Rdmodfacs> Numero du vecteur CERFACS en lecture: 33 Rdmodfacs> Valeur propre du vecteur en lecture: 10.28 Rdmodfacs> Numero du vecteur CERFACS en lecture: 34 Rdmodfacs> Valeur propre du vecteur en lecture: 10.83 Rdmodfacs> Numero du vecteur CERFACS en lecture: 35 Rdmodfacs> Valeur propre du vecteur en lecture: 12.64 Rdmodfacs> Numero du vecteur CERFACS en lecture: 36 Rdmodfacs> Valeur propre du vecteur en lecture: 12.76 Rdmodfacs> Numero du vecteur CERFACS en lecture: 37 Rdmodfacs> Valeur propre du vecteur en lecture: 13.66 Rdmodfacs> Numero du vecteur CERFACS en lecture: 38 Rdmodfacs> Valeur propre du vecteur en lecture: 14.56 Rdmodfacs> Numero du vecteur CERFACS en lecture: 39 Rdmodfacs> Valeur propre du vecteur en lecture: 15.40 Rdmodfacs> Numero du vecteur CERFACS en lecture: 40 Rdmodfacs> Valeur propre du vecteur en lecture: 16.08 Rdmodfacs> Numero du vecteur CERFACS en lecture: 41 Rdmodfacs> Valeur propre du vecteur en lecture: 16.68 Rdmodfacs> Numero du vecteur CERFACS en lecture: 42 Rdmodfacs> Valeur propre du vecteur en lecture: 16.91 Rdmodfacs> Numero du vecteur CERFACS en lecture: 43 Rdmodfacs> Valeur propre du vecteur en lecture: 18.30 Rdmodfacs> Numero du vecteur CERFACS en lecture: 44 Rdmodfacs> Valeur propre du vecteur en lecture: 19.17 Rdmodfacs> Numero du vecteur CERFACS en lecture: 45 Rdmodfacs> Valeur propre du vecteur en lecture: 19.69 Rdmodfacs> Numero du vecteur CERFACS en lecture: 46 Rdmodfacs> Valeur propre du vecteur en lecture: 20.79 Rdmodfacs> Numero du vecteur CERFACS en lecture: 47 Rdmodfacs> Valeur propre du vecteur en lecture: 21.33 Rdmodfacs> Numero du vecteur CERFACS en lecture: 48 Rdmodfacs> Valeur propre du vecteur en lecture: 22.22 Rdmodfacs> Numero du vecteur CERFACS en lecture: 49 Rdmodfacs> Valeur propre du vecteur en lecture: 23.02 Rdmodfacs> Numero du vecteur CERFACS en lecture: 50 Rdmodfacs> Valeur propre du vecteur en lecture: 23.44 Rdmodfacs> Numero du vecteur CERFACS en lecture: 51 Rdmodfacs> Valeur propre du vecteur en lecture: 24.29 Rdmodfacs> Numero du vecteur CERFACS en lecture: 52 Rdmodfacs> Valeur propre du vecteur en lecture: 25.12 Rdmodfacs> Numero du vecteur CERFACS en lecture: 53 Rdmodfacs> Valeur propre du vecteur en lecture: 26.16 Rdmodfacs> Numero du vecteur CERFACS en lecture: 54 Rdmodfacs> Valeur propre du vecteur en lecture: 26.75 Rdmodfacs> Numero du vecteur CERFACS en lecture: 55 Rdmodfacs> Valeur propre du vecteur en lecture: 27.41 Rdmodfacs> Numero du vecteur CERFACS en lecture: 56 Rdmodfacs> Valeur propre du vecteur en lecture: 28.28 Rdmodfacs> Numero du vecteur CERFACS en lecture: 57 Rdmodfacs> Valeur propre du vecteur en lecture: 28.81 Rdmodfacs> Numero du vecteur CERFACS en lecture: 58 Rdmodfacs> Valeur propre du vecteur en lecture: 30.28 Rdmodfacs> Numero du vecteur CERFACS en lecture: 59 Rdmodfacs> Valeur propre du vecteur en lecture: 31.22 Rdmodfacs> Numero du vecteur CERFACS en lecture: 60 Rdmodfacs> Valeur propre du vecteur en lecture: 31.84 Rdmodfacs> Numero du vecteur CERFACS en lecture: 61 Rdmodfacs> Valeur propre du vecteur en lecture: 32.03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 62 Rdmodfacs> Valeur propre du vecteur en lecture: 32.95 Rdmodfacs> Numero du vecteur CERFACS en lecture: 63 Rdmodfacs> Valeur propre du vecteur en lecture: 33.97 Rdmodfacs> Numero du vecteur CERFACS en lecture: 64 Rdmodfacs> Valeur propre du vecteur en lecture: 34.58 Rdmodfacs> Numero du vecteur CERFACS en lecture: 65 Rdmodfacs> Valeur propre du vecteur en lecture: 35.33 Rdmodfacs> Numero du vecteur CERFACS en lecture: 66 Rdmodfacs> Valeur propre du vecteur en lecture: 36.24 Rdmodfacs> Numero du vecteur CERFACS en lecture: 67 Rdmodfacs> Valeur propre du vecteur en lecture: 36.76 Rdmodfacs> Numero du vecteur CERFACS en lecture: 68 Rdmodfacs> Valeur propre du vecteur en lecture: 38.24 Rdmodfacs> Numero du vecteur CERFACS en lecture: 69 Rdmodfacs> Valeur propre du vecteur en lecture: 38.44 Rdmodfacs> Numero du vecteur CERFACS en lecture: 70 Rdmodfacs> Valeur propre du vecteur en lecture: 39.91 Rdmodfacs> Numero du vecteur CERFACS en lecture: 71 Rdmodfacs> Valeur propre du vecteur en lecture: 40.87 Rdmodfacs> Numero du vecteur CERFACS en lecture: 72 Rdmodfacs> Valeur propre du vecteur en lecture: 42.48 Rdmodfacs> Numero du vecteur CERFACS en lecture: 73 Rdmodfacs> Valeur propre du vecteur en lecture: 42.65 Rdmodfacs> Numero du vecteur CERFACS en lecture: 74 Rdmodfacs> Valeur propre du vecteur en lecture: 43.82 Rdmodfacs> Numero du vecteur CERFACS en lecture: 75 Rdmodfacs> Valeur propre du vecteur en lecture: 44.34 Rdmodfacs> Numero du vecteur CERFACS en lecture: 76 Rdmodfacs> Valeur propre du vecteur en lecture: 45.75 Rdmodfacs> Numero du vecteur CERFACS en lecture: 77 Rdmodfacs> Valeur propre du vecteur en lecture: 47.16 Rdmodfacs> Numero du vecteur CERFACS en lecture: 78 Rdmodfacs> Valeur propre du vecteur en lecture: 47.41 Rdmodfacs> Numero du vecteur CERFACS en lecture: 79 Rdmodfacs> Valeur propre du vecteur en lecture: 48.53 Rdmodfacs> Numero du vecteur CERFACS en lecture: 80 Rdmodfacs> Valeur propre du vecteur en lecture: 50.01 Rdmodfacs> Numero du vecteur CERFACS en lecture: 81 Rdmodfacs> Valeur propre du vecteur en lecture: 50.57 Rdmodfacs> Numero du vecteur CERFACS en lecture: 82 Rdmodfacs> Valeur propre du vecteur en lecture: 51.18 Rdmodfacs> Numero du vecteur CERFACS en lecture: 83 Rdmodfacs> Valeur propre du vecteur en lecture: 52.53 Rdmodfacs> Numero du vecteur CERFACS en lecture: 84 Rdmodfacs> Valeur propre du vecteur en lecture: 53.61 Rdmodfacs> Numero du vecteur CERFACS en lecture: 85 Rdmodfacs> Valeur propre du vecteur en lecture: 54.38 Rdmodfacs> Numero du vecteur CERFACS en lecture: 86 Rdmodfacs> Valeur propre du vecteur en lecture: 55.21 Rdmodfacs> Numero du vecteur CERFACS en lecture: 87 Rdmodfacs> Valeur propre du vecteur en lecture: 55.64 Rdmodfacs> Numero du vecteur CERFACS en lecture: 88 Rdmodfacs> Valeur propre du vecteur en lecture: 56.83 Rdmodfacs> Numero du vecteur CERFACS en lecture: 89 Rdmodfacs> Valeur propre du vecteur en lecture: 57.50 Rdmodfacs> Numero du vecteur CERFACS en lecture: 90 Rdmodfacs> Valeur propre du vecteur en lecture: 59.08 Rdmodfacs> Numero du vecteur CERFACS en lecture: 91 Rdmodfacs> Valeur propre du vecteur en lecture: 59.47 Rdmodfacs> Numero du vecteur CERFACS en lecture: 92 Rdmodfacs> Valeur propre du vecteur en lecture: 60.69 Rdmodfacs> Numero du vecteur CERFACS en lecture: 93 Rdmodfacs> Valeur propre du vecteur en lecture: 62.32 Rdmodfacs> Numero du vecteur CERFACS en lecture: 94 Rdmodfacs> Valeur propre du vecteur en lecture: 62.69 Rdmodfacs> Numero du vecteur CERFACS en lecture: 95 Rdmodfacs> Valeur propre du vecteur en lecture: 64.23 Rdmodfacs> Numero du vecteur CERFACS en lecture: 96 Rdmodfacs> Valeur propre du vecteur en lecture: 64.60 Rdmodfacs> Numero du vecteur CERFACS en lecture: 97 Rdmodfacs> Valeur propre du vecteur en lecture: 65.34 Rdmodfacs> Numero du vecteur CERFACS en lecture: 98 Rdmodfacs> Valeur propre du vecteur en lecture: 66.41 Rdmodfacs> Numero du vecteur CERFACS en lecture: 99 Rdmodfacs> Valeur propre du vecteur en lecture: 66.80 Rdmodfacs> Numero du vecteur CERFACS en lecture: 100 Rdmodfacs> Valeur propre du vecteur en lecture: 67.94 Rdmodfacs> Numero du vecteur CERFACS en lecture: 101 Rdmodfacs> Valeur propre du vecteur en lecture: 68.40 Rdmodfacs> Numero du vecteur CERFACS en lecture: 102 Rdmodfacs> Valeur propre du vecteur en lecture: 68.81 Rdmodfacs> Numero du vecteur CERFACS en lecture: 103 Rdmodfacs> Valeur propre du vecteur en lecture: 69.70 Rdmodfacs> Numero du vecteur CERFACS en lecture: 104 Rdmodfacs> Valeur propre du vecteur en lecture: 70.40 Rdmodfacs> Numero du vecteur CERFACS en lecture: 105 Rdmodfacs> Valeur propre du vecteur en lecture: 71.29 Rdmodfacs> Numero du vecteur CERFACS en lecture: 106 Rdmodfacs> Valeur propre du vecteur en lecture: 72.63 Bfactors> 106 vectors, 28749 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 : 0.108800 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= -0.399 for 609 C-alpha atoms. Bfactors> = 0.043 +/- 0.23 Bfactors> = 78.911 +/- 13.39 Bfactors> Shiftng-fct= 78.868 Bfactors> Scaling-fct= 58.495 Bfactors> Predicted, Scaled and Experimental B-factors are saved. Bfactors> Normal end. check_modes Chkmod> Version 1.00, Bordeaux. Getnam> Eigenvector filename ? Getnam> 2607192324172695383.eigenfacs Openam> file on opening on unit 10: 2607192324172695383.eigenfacs Rdmodfacs> Old Blzpack file format detected. Rdmodfacs> Numero du vecteur CERFACS en lecture: 1 Rdmodfacs> Frequence du vecteur en lecture: 3.4315E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 2 Rdmodfacs> Frequence du vecteur en lecture: 3.4323E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 3 Rdmodfacs> Frequence du vecteur en lecture: 3.4338E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 4 Rdmodfacs> Frequence du vecteur en lecture: 3.4347E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 5 Rdmodfacs> Frequence du vecteur en lecture: 3.4354E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 6 Rdmodfacs> Frequence du vecteur en lecture: 3.4372E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 7 Rdmodfacs> Frequence du vecteur en lecture: 35.82 Rdmodfacs> Numero du vecteur CERFACS en lecture: 8 Rdmodfacs> Frequence du vecteur en lecture: 42.24 Rdmodfacs> Numero du vecteur CERFACS en lecture: 9 Rdmodfacs> Frequence du vecteur en lecture: 74.16 Rdmodfacs> Numero du vecteur CERFACS en lecture: 10 Rdmodfacs> Frequence du vecteur en lecture: 99.13 Rdmodfacs> Numero du vecteur CERFACS en lecture: 11 Rdmodfacs> Frequence du vecteur en lecture: 119.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 12 Rdmodfacs> Frequence du vecteur en lecture: 123.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 13 Rdmodfacs> Frequence du vecteur en lecture: 136.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 14 Rdmodfacs> Frequence du vecteur en lecture: 142.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 15 Rdmodfacs> Frequence du vecteur en lecture: 146.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 16 Rdmodfacs> Frequence du vecteur en lecture: 158.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 17 Rdmodfacs> Frequence du vecteur en lecture: 161.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 18 Rdmodfacs> Frequence du vecteur en lecture: 190.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 19 Rdmodfacs> Frequence du vecteur en lecture: 221.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 20 Rdmodfacs> Frequence du vecteur en lecture: 229.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 21 Rdmodfacs> Frequence du vecteur en lecture: 255.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 22 Rdmodfacs> Frequence du vecteur en lecture: 262.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 23 Rdmodfacs> Frequence du vecteur en lecture: 277.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 24 Rdmodfacs> Frequence du vecteur en lecture: 278.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 25 Rdmodfacs> Frequence du vecteur en lecture: 284.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 26 Rdmodfacs> Frequence du vecteur en lecture: 289.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 27 Rdmodfacs> Frequence du vecteur en lecture: 291.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 28 Rdmodfacs> Frequence du vecteur en lecture: 306.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 29 Rdmodfacs> Frequence du vecteur en lecture: 309.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 30 Rdmodfacs> Frequence du vecteur en lecture: 322.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 31 Rdmodfacs> Frequence du vecteur en lecture: 323.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 32 Rdmodfacs> Frequence du vecteur en lecture: 341.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 33 Rdmodfacs> Frequence du vecteur en lecture: 348.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 34 Rdmodfacs> Frequence du vecteur en lecture: 357.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 35 Rdmodfacs> Frequence du vecteur en lecture: 386.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 36 Rdmodfacs> Frequence du vecteur en lecture: 387.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 37 Rdmodfacs> Frequence du vecteur en lecture: 401.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 38 Rdmodfacs> Frequence du vecteur en lecture: 414.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 39 Rdmodfacs> Frequence du vecteur en lecture: 426.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 40 Rdmodfacs> Frequence du vecteur en lecture: 435.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 41 Rdmodfacs> Frequence du vecteur en lecture: 443.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 42 Rdmodfacs> Frequence du vecteur en lecture: 446.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 43 Rdmodfacs> Frequence du vecteur en lecture: 464.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 44 Rdmodfacs> Frequence du vecteur en lecture: 475.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 45 Rdmodfacs> Frequence du vecteur en lecture: 481.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 46 Rdmodfacs> Frequence du vecteur en lecture: 495.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 47 Rdmodfacs> Frequence du vecteur en lecture: 501.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 48 Rdmodfacs> Frequence du vecteur en lecture: 511.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 49 Rdmodfacs> Frequence du vecteur en lecture: 521.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 50 Rdmodfacs> Frequence du vecteur en lecture: 525.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 51 Rdmodfacs> Frequence du vecteur en lecture: 535.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 52 Rdmodfacs> Frequence du vecteur en lecture: 544.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 53 Rdmodfacs> Frequence du vecteur en lecture: 555.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 54 Rdmodfacs> Frequence du vecteur en lecture: 561.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 55 Rdmodfacs> Frequence du vecteur en lecture: 568.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 56 Rdmodfacs> Frequence du vecteur en lecture: 577.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 57 Rdmodfacs> Frequence du vecteur en lecture: 582.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 58 Rdmodfacs> Frequence du vecteur en lecture: 597.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 59 Rdmodfacs> Frequence du vecteur en lecture: 606.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 60 Rdmodfacs> Frequence du vecteur en lecture: 612.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 61 Rdmodfacs> Frequence du vecteur en lecture: 614.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 62 Rdmodfacs> Frequence du vecteur en lecture: 623.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 63 Rdmodfacs> Frequence du vecteur en lecture: 632.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 64 Rdmodfacs> Frequence du vecteur en lecture: 638.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 65 Rdmodfacs> Frequence du vecteur en lecture: 645.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 66 Rdmodfacs> Frequence du vecteur en lecture: 653.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 67 Rdmodfacs> Frequence du vecteur en lecture: 658.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 68 Rdmodfacs> Frequence du vecteur en lecture: 671.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 69 Rdmodfacs> Frequence du vecteur en lecture: 673.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 70 Rdmodfacs> Frequence du vecteur en lecture: 686.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 71 Rdmodfacs> Frequence du vecteur en lecture: 694.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 72 Rdmodfacs> Frequence du vecteur en lecture: 707.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 73 Rdmodfacs> Frequence du vecteur en lecture: 709.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 74 Rdmodfacs> Frequence du vecteur en lecture: 718.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 75 Rdmodfacs> Frequence du vecteur en lecture: 723.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 76 Rdmodfacs> Frequence du vecteur en lecture: 734.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 77 Rdmodfacs> Frequence du vecteur en lecture: 745.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 78 Rdmodfacs> Frequence du vecteur en lecture: 747.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 79 Rdmodfacs> Frequence du vecteur en lecture: 756.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 80 Rdmodfacs> Frequence du vecteur en lecture: 767.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 81 Rdmodfacs> Frequence du vecteur en lecture: 772.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 82 Rdmodfacs> Frequence du vecteur en lecture: 776.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 83 Rdmodfacs> Frequence du vecteur en lecture: 787.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 84 Rdmodfacs> Frequence du vecteur en lecture: 795.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 85 Rdmodfacs> Frequence du vecteur en lecture: 800.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 86 Rdmodfacs> Frequence du vecteur en lecture: 806.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 87 Rdmodfacs> Frequence du vecteur en lecture: 810.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 88 Rdmodfacs> Frequence du vecteur en lecture: 818.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 89 Rdmodfacs> Frequence du vecteur en lecture: 823.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 90 Rdmodfacs> Frequence du vecteur en lecture: 834.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 91 Rdmodfacs> Frequence du vecteur en lecture: 837.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 92 Rdmodfacs> Frequence du vecteur en lecture: 845.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 93 Rdmodfacs> Frequence du vecteur en lecture: 857.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 94 Rdmodfacs> Frequence du vecteur en lecture: 859.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 95 Rdmodfacs> Frequence du vecteur en lecture: 870.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 96 Rdmodfacs> Frequence du vecteur en lecture: 872.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 97 Rdmodfacs> Frequence du vecteur en lecture: 877.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 98 Rdmodfacs> Frequence du vecteur en lecture: 884.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 99 Rdmodfacs> Frequence du vecteur en lecture: 887.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 100 Rdmodfacs> Frequence du vecteur en lecture: 895.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 101 Rdmodfacs> Frequence du vecteur en lecture: 898.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 102 Rdmodfacs> Frequence du vecteur en lecture: 900.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 103 Rdmodfacs> Frequence du vecteur en lecture: 906.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 104 Rdmodfacs> Frequence du vecteur en lecture: 911.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 105 Rdmodfacs> Frequence du vecteur en lecture: 916.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 106 Rdmodfacs> Frequence du vecteur en lecture: 925.4 Chkmod> 106 vectors, 28749 coordinates in file. Chkmod> That is: 9583 cartesian points. Openam> file on opening on unit 11: Chkmod.res Chkmod> Collectivity=f(frequency) to be written in this file. %Chkmod-Wn> Norm of vector 50 is: 1.0001 (instead of 1.0000). %Chkmod-Wn> Norm of vector 69 is: 0.9999 (instead of 1.0000). %Chkmod-Wn> Norm of vector 103 is: 1.0001 (instead of 1.0000). Chkmod> Normal end. 0.0034 0.7694 0.0034 0.6638 0.0034 0.6559 0.0034 0.6097 0.0034 0.9225 0.0034 0.8604 35.8172 0.0314 42.2373 0.0314 74.1576 0.0645 99.1296 0.0873 119.1983 0.1795 123.7603 0.0519 136.4482 0.0715 141.9955 0.1013 146.2901 0.0815 158.5886 0.0412 161.9362 0.0813 190.1043 0.0414 221.1013 0.2344 229.1154 0.3541 255.7672 0.3006 262.8606 0.2234 277.8632 0.2544 278.0328 0.2459 284.7167 0.1446 289.3586 0.1716 291.5305 0.1853 306.0527 0.1977 309.7672 0.1932 322.7602 0.2350 323.3441 0.2821 341.1939 0.2811 348.1554 0.0968 357.3476 0.3436 386.0559 0.1932 387.8841 0.3614 401.3303 0.3747 414.3404 0.2293 426.1250 0.2628 435.4313 0.0697 443.4806 0.1700 446.5277 0.1139 464.5176 0.3756 475.4312 0.2494 481.8363 0.1878 495.1125 0.4046 501.5013 0.3466 511.8570 0.3794 520.9899 0.2984 525.7211 0.1410 535.1683 0.4395 544.2350 0.3612 555.3867 0.5183 561.6148 0.4544 568.5009 0.4785 577.4526 0.5156 582.8385 0.3183 597.5229 0.1171 606.7267 0.2957 612.7216 0.2206 614.5470 0.3893 623.3104 0.3421 632.8844 0.3389 638.5415 0.3390 645.4290 0.4062 653.6883 0.3100 658.3614 0.1898 671.4839 0.4909 673.2375 0.3982 685.9896 0.3797 694.1910 0.4369 707.7321 0.2333 709.1468 0.2114 718.8079 0.3246 723.0602 0.3184 734.4668 0.4277 745.6990 0.3083 747.6729 0.2615 756.4527 0.3021 767.9007 0.3497 772.1881 0.2928 776.8314 0.3865 787.0102 0.5204 795.0593 0.3240 800.7487 0.3697 806.8365 0.2141 809.9724 0.3667 818.5882 0.2275 823.3994 0.4210 834.6356 0.4832 837.3858 0.5227 845.9315 0.4728 857.2162 0.3136 859.7571 0.2950 870.2531 0.3104 872.7561 0.4002 877.7406 0.3996 884.8983 0.2858 887.4929 0.4425 895.0337 0.2073 898.0586 0.2751 900.7462 0.3908 906.5526 0.2797 911.0935 0.2951 916.8345 0.4512 925.4110 0.3774 getting mode 7 running: ../../bin/get_modes.sh 2607192324172695383 7 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 7 calculating perturbed structure for DQ=-100 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-80 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-60 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-40 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-20 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=0 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=20 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=40 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=60 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=80 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=100 2607192324172695383.eigenfacs 2607192324172695383.atom making animated gifs 11 models are in 2607192324172695383.7.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 2607192324172695383.7.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 2607192324172695383.7.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 2607192324172695383 8 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 8 calculating perturbed structure for DQ=-100 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-80 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-60 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-40 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-20 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=0 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=20 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=40 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=60 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=80 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=100 2607192324172695383.eigenfacs 2607192324172695383.atom making animated gifs 11 models are in 2607192324172695383.8.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 2607192324172695383.8.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 2607192324172695383.8.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 2607192324172695383 9 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 9 calculating perturbed structure for DQ=-100 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-80 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-60 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-40 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-20 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=0 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=20 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=40 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=60 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=80 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=100 2607192324172695383.eigenfacs 2607192324172695383.atom making animated gifs 11 models are in 2607192324172695383.9.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 2607192324172695383.9.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 2607192324172695383.9.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 2607192324172695383 10 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 10 calculating perturbed structure for DQ=-100 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-80 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-60 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-40 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-20 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=0 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=20 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=40 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=60 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=80 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=100 2607192324172695383.eigenfacs 2607192324172695383.atom making animated gifs 11 models are in 2607192324172695383.10.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 2607192324172695383.10.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 2607192324172695383.10.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 2607192324172695383 11 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 11 calculating perturbed structure for DQ=-100 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-80 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-60 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-40 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-20 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=0 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=20 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=40 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=60 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=80 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=100 2607192324172695383.eigenfacs 2607192324172695383.atom making animated gifs 11 models are in 2607192324172695383.11.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 2607192324172695383.11.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 2607192324172695383.11.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 2607192324172695383 12 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 12 calculating perturbed structure for DQ=-100 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-80 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-60 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-40 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-20 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=0 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=20 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=40 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=60 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=80 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=100 2607192324172695383.eigenfacs 2607192324172695383.atom making animated gifs 11 models are in 2607192324172695383.12.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 2607192324172695383.12.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 2607192324172695383.12.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 2607192324172695383 13 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 13 calculating perturbed structure for DQ=-100 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-80 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-60 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-40 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-20 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=0 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=20 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=40 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=60 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=80 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=100 2607192324172695383.eigenfacs 2607192324172695383.atom making animated gifs 11 models are in 2607192324172695383.13.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 2607192324172695383.13.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 2607192324172695383.13.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 2607192324172695383 14 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 14 calculating perturbed structure for DQ=-100 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-80 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-60 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-40 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-20 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=0 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=20 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=40 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=60 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=80 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=100 2607192324172695383.eigenfacs 2607192324172695383.atom making animated gifs 11 models are in 2607192324172695383.14.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 2607192324172695383.14.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 2607192324172695383.14.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 2607192324172695383 15 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 15 calculating perturbed structure for DQ=-100 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-80 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-60 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-40 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-20 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=0 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=20 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=40 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=60 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=80 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=100 2607192324172695383.eigenfacs 2607192324172695383.atom making animated gifs 11 models are in 2607192324172695383.15.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 2607192324172695383.15.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 2607192324172695383.15.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 2607192324172695383 16 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 16 calculating perturbed structure for DQ=-100 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-80 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-60 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-40 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-20 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=0 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=20 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=40 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=60 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=80 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=100 2607192324172695383.eigenfacs 2607192324172695383.atom making animated gifs 11 models are in 2607192324172695383.16.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 2607192324172695383.16.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 2607192324172695383.16.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 getting mode 17 running: ../../bin/get_modes.sh 2607192324172695383 17 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 17 calculating perturbed structure for DQ=-100 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-80 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-60 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-40 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-20 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=0 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=20 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=40 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=60 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=80 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=100 2607192324172695383.eigenfacs 2607192324172695383.atom making animated gifs 11 models are in 2607192324172695383.17.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 2607192324172695383.17.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 2607192324172695383.17.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 18 running: ../../bin/get_modes.sh 2607192324172695383 18 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 18 calculating perturbed structure for DQ=-100 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-80 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-60 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-40 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-20 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=0 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=20 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=40 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=60 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=80 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=100 2607192324172695383.eigenfacs 2607192324172695383.atom making animated gifs 11 models are in 2607192324172695383.18.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 2607192324172695383.18.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 2607192324172695383.18.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 19 running: ../../bin/get_modes.sh 2607192324172695383 19 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 19 calculating perturbed structure for DQ=-100 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-80 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-60 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-40 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-20 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=0 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=20 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=40 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=60 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=80 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=100 2607192324172695383.eigenfacs 2607192324172695383.atom making animated gifs 11 models are in 2607192324172695383.19.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 2607192324172695383.19.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 2607192324172695383.19.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 20 running: ../../bin/get_modes.sh 2607192324172695383 20 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 20 calculating perturbed structure for DQ=-100 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-80 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-60 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-40 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-20 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=0 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=20 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=40 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=60 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=80 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=100 2607192324172695383.eigenfacs 2607192324172695383.atom making animated gifs 11 models are in 2607192324172695383.20.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 2607192324172695383.20.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 2607192324172695383.20.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 21 running: ../../bin/get_modes.sh 2607192324172695383 21 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 21 calculating perturbed structure for DQ=-100 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-80 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-60 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-40 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-20 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=0 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=20 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=40 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=60 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=80 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=100 2607192324172695383.eigenfacs 2607192324172695383.atom making animated gifs 11 models are in 2607192324172695383.21.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 2607192324172695383.21.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 2607192324172695383.21.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 22 running: ../../bin/get_modes.sh 2607192324172695383 22 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 22 calculating perturbed structure for DQ=-100 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-80 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-60 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-40 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-20 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=0 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=20 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=40 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=60 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=80 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=100 2607192324172695383.eigenfacs 2607192324172695383.atom making animated gifs 11 models are in 2607192324172695383.22.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 2607192324172695383.22.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 2607192324172695383.22.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 23 running: ../../bin/get_modes.sh 2607192324172695383 23 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 23 calculating perturbed structure for DQ=-100 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-80 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-60 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-40 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-20 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=0 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=20 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=40 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=60 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=80 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=100 2607192324172695383.eigenfacs 2607192324172695383.atom making animated gifs 11 models are in 2607192324172695383.23.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 2607192324172695383.23.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 2607192324172695383.23.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 24 running: ../../bin/get_modes.sh 2607192324172695383 24 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 24 calculating perturbed structure for DQ=-100 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-80 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-60 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-40 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-20 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=0 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=20 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=40 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=60 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=80 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=100 2607192324172695383.eigenfacs 2607192324172695383.atom making animated gifs 11 models are in 2607192324172695383.24.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 2607192324172695383.24.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 2607192324172695383.24.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 25 running: ../../bin/get_modes.sh 2607192324172695383 25 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 25 calculating perturbed structure for DQ=-100 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-80 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-60 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-40 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-20 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=0 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=20 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=40 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=60 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=80 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=100 2607192324172695383.eigenfacs 2607192324172695383.atom making animated gifs 11 models are in 2607192324172695383.25.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 2607192324172695383.25.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 2607192324172695383.25.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 26 running: ../../bin/get_modes.sh 2607192324172695383 26 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 26 calculating perturbed structure for DQ=-100 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-80 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-60 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-40 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-20 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=0 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=20 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=40 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=60 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=80 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=100 2607192324172695383.eigenfacs 2607192324172695383.atom making animated gifs 11 models are in 2607192324172695383.26.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 2607192324172695383.26.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 2607192324172695383.26.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 27 running: ../../bin/get_modes.sh 2607192324172695383 27 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 27 calculating perturbed structure for DQ=-100 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-80 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-60 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-40 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-20 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=0 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=20 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=40 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=60 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=80 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=100 2607192324172695383.eigenfacs 2607192324172695383.atom making animated gifs 11 models are in 2607192324172695383.27.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 2607192324172695383.27.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 2607192324172695383.27.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 28 running: ../../bin/get_modes.sh 2607192324172695383 28 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 28 calculating perturbed structure for DQ=-100 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-80 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-60 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-40 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-20 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=0 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=20 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=40 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=60 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=80 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=100 2607192324172695383.eigenfacs 2607192324172695383.atom making animated gifs 11 models are in 2607192324172695383.28.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 2607192324172695383.28.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 2607192324172695383.28.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 29 running: ../../bin/get_modes.sh 2607192324172695383 29 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 29 calculating perturbed structure for DQ=-100 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-80 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-60 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-40 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-20 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=0 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=20 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=40 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=60 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=80 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=100 2607192324172695383.eigenfacs 2607192324172695383.atom making animated gifs 11 models are in 2607192324172695383.29.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 2607192324172695383.29.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 2607192324172695383.29.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 30 running: ../../bin/get_modes.sh 2607192324172695383 30 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 30 calculating perturbed structure for DQ=-100 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-80 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-60 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-40 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-20 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=0 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=20 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=40 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=60 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=80 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=100 2607192324172695383.eigenfacs 2607192324172695383.atom making animated gifs 11 models are in 2607192324172695383.30.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 2607192324172695383.30.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 2607192324172695383.30.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 31 running: ../../bin/get_modes.sh 2607192324172695383 31 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 31 calculating perturbed structure for DQ=-100 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-80 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-60 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-40 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=-20 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=0 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=20 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=40 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=60 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=80 2607192324172695383.eigenfacs 2607192324172695383.atom calculating perturbed structure for DQ=100 2607192324172695383.eigenfacs 2607192324172695383.atom making animated gifs 11 models are in 2607192324172695383.31.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 2607192324172695383.31.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 2607192324172695383.31.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 2607192324172695383.10.pdb 2607192324172695383.11.pdb 2607192324172695383.12.pdb 2607192324172695383.13.pdb 2607192324172695383.14.pdb 2607192324172695383.15.pdb 2607192324172695383.16.pdb 2607192324172695383.17.pdb 2607192324172695383.18.pdb 2607192324172695383.19.pdb 2607192324172695383.20.pdb 2607192324172695383.21.pdb 2607192324172695383.22.pdb 2607192324172695383.23.pdb 2607192324172695383.24.pdb 2607192324172695383.25.pdb 2607192324172695383.26.pdb 2607192324172695383.27.pdb 2607192324172695383.28.pdb 2607192324172695383.29.pdb 2607192324172695383.30.pdb 2607192324172695383.31.pdb 2607192324172695383.7.pdb 2607192324172695383.8.pdb 2607192324172695383.9.pdb STDERR: Note: The following floating-point exceptions are signalling: IEEE_DENORMAL real 0m49.926s user 0m49.488s sys 0m0.410s rm: cannot remove '2607192324172695383.sdijf': No such file or directory pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw 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pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: 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ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format




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Last modification: april 24th, 2026.