CNRS Nantes University US2B US2B
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***  sec_alpha_ABC  ***

LOGs for ID: 2607192210472627078

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 = 2607192210472627078.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 2607192210472627078.atom to be opened. Openam> File opened: 2607192210472627078.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 = 612 First residue number = 1 Last residue number = 612 Number of atoms found = 9634 Mean number per residue = 15.7 Pdbmat> Coordinate statistics: = 0.706844 +/- 13.820978 From: -30.885000 To: 43.051000 = 0.619004 +/- 13.789378 From: -44.471000 To: 38.277000 = -2.341424 +/- 19.980981 From: -63.680000 To: 42.593000 Pdbmat> Masses are all set to one. %Pdbmat-W> residue:'HSD ' is not a well known amino-acid. %Pdbmat-W> residue:'HSD ' is not a well known amino-acid. %Pdbmat-W> residue:'HSD ' is not a well known amino-acid. %Pdbmat-W> 3 residue(s) not known. Openam> File opened: pdbmat.xyzm Pdbmat> Coordinates and masses considered are saved. Openam> File opened: pdbmat.sdijb Pdbmat> Matrix statistics: Pdbmat> The matrix is 1.5947 % Filled. Pdbmat> 6660562 non-zero elements. Pdbmat> 733757 atom-atom interactions. Pdbmat> Number per atom= 152.33 +/- 49.80 Maximum number = 246 Minimum number = 17 Pdbmat> Matrix trace = 1.467514E+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) 612 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 = 2607192210472627078.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 2607192210472627078.atom to be opened. Openam> file on opening on unit 11: 2607192210472627078.atom Blocpdb> Coordinate file in PDB format. Blocpdb> 9634 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> 612 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> 58 atoms in block 12 Block first atom: 691 Blocpdb> 47 atoms in block 13 Block first atom: 749 Blocpdb> 65 atoms in block 14 Block first atom: 796 Blocpdb> 61 atoms in block 15 Block first atom: 861 Blocpdb> 43 atoms in block 16 Block first atom: 922 Blocpdb> 62 atoms in block 17 Block first atom: 965 Blocpdb> 68 atoms in block 18 Block first atom: 1027 Blocpdb> 61 atoms in block 19 Block first atom: 1095 Blocpdb> 67 atoms in block 20 Block first atom: 1156 Blocpdb> 65 atoms in block 21 Block first atom: 1223 Blocpdb> 66 atoms in block 22 Block first atom: 1288 Blocpdb> 59 atoms in block 23 Block first atom: 1354 Blocpdb> 62 atoms in block 24 Block first atom: 1413 Blocpdb> 70 atoms in block 25 Block first atom: 1475 Blocpdb> 48 atoms in block 26 Block first atom: 1545 Blocpdb> 80 atoms in block 27 Block first atom: 1593 Blocpdb> 60 atoms in block 28 Block first atom: 1673 Blocpdb> 75 atoms in block 29 Block first atom: 1733 Blocpdb> 57 atoms in block 30 Block first atom: 1808 Blocpdb> 53 atoms in block 31 Block first atom: 1865 Blocpdb> 73 atoms in block 32 Block first atom: 1918 Blocpdb> 60 atoms in block 33 Block first atom: 1991 Blocpdb> 66 atoms in block 34 Block first atom: 2051 Blocpdb> 60 atoms in block 35 Block first atom: 2117 Blocpdb> 65 atoms in block 36 Block first atom: 2177 Blocpdb> 57 atoms in block 37 Block first atom: 2242 Blocpdb> 76 atoms in block 38 Block first atom: 2299 Blocpdb> 48 atoms in block 39 Block first atom: 2375 Blocpdb> 55 atoms in block 40 Block first atom: 2423 Blocpdb> 70 atoms in block 41 Block first atom: 2478 Blocpdb> 69 atoms in block 42 Block first atom: 2548 Blocpdb> 72 atoms in block 43 Block first atom: 2617 Blocpdb> 58 atoms in block 44 Block first atom: 2689 Blocpdb> 47 atoms in block 45 Block first atom: 2747 Blocpdb> 68 atoms in block 46 Block first atom: 2794 Blocpdb> 62 atoms in block 47 Block first atom: 2862 Blocpdb> 64 atoms in block 48 Block first atom: 2924 Blocpdb> 55 atoms in block 49 Block first atom: 2988 Blocpdb> 58 atoms in block 50 Block first atom: 3043 Blocpdb> 67 atoms in block 51 Block first atom: 3101 Blocpdb> 52 atoms in block 52 Block first atom: 3168 Blocpdb> 53 atoms in block 53 Block first atom: 3220 Blocpdb> 63 atoms in block 54 Block first atom: 3273 Blocpdb> 68 atoms in block 55 Block first atom: 3336 Blocpdb> 69 atoms in block 56 Block first atom: 3404 Blocpdb> 76 atoms in block 57 Block first atom: 3473 Blocpdb> 79 atoms in block 58 Block first atom: 3549 Blocpdb> 78 atoms in block 59 Block first atom: 3628 Blocpdb> 69 atoms in block 60 Block first atom: 3706 Blocpdb> 81 atoms in block 61 Block first atom: 3775 Blocpdb> 45 atoms in block 62 Block first atom: 3856 Blocpdb> 79 atoms in block 63 Block first atom: 3901 Blocpdb> 45 atoms in block 64 Block first atom: 3980 Blocpdb> 73 atoms in block 65 Block first atom: 4025 Blocpdb> 69 atoms in block 66 Block first atom: 4098 Blocpdb> 52 atoms in block 67 Block first atom: 4167 Blocpdb> 67 atoms in block 68 Block first atom: 4219 Blocpdb> 53 atoms in block 69 Block first atom: 4286 Blocpdb> 60 atoms in block 70 Block first atom: 4339 Blocpdb> 65 atoms in block 71 Block first atom: 4399 Blocpdb> 72 atoms in block 72 Block first atom: 4464 Blocpdb> 57 atoms in block 73 Block first atom: 4536 Blocpdb> 57 atoms in block 74 Block first atom: 4593 Blocpdb> 83 atoms in block 75 Block first atom: 4650 Blocpdb> 44 atoms in block 76 Block first atom: 4733 Blocpdb> 75 atoms in block 77 Block first atom: 4777 Blocpdb> 67 atoms in block 78 Block first atom: 4852 Blocpdb> 65 atoms in block 79 Block first atom: 4919 Blocpdb> 74 atoms in block 80 Block first atom: 4984 Blocpdb> 66 atoms in block 81 Block first atom: 5058 Blocpdb> 67 atoms in block 82 Block first atom: 5124 Blocpdb> 65 atoms in block 83 Block first atom: 5191 Blocpdb> 62 atoms in block 84 Block first atom: 5256 Blocpdb> 65 atoms in block 85 Block first atom: 5318 Blocpdb> 57 atoms in block 86 Block first atom: 5383 Blocpdb> 67 atoms in block 87 Block first atom: 5440 Blocpdb> 53 atoms in block 88 Block first atom: 5507 Blocpdb> 78 atoms in block 89 Block first atom: 5560 Blocpdb> 64 atoms in block 90 Block first atom: 5638 Blocpdb> 64 atoms in block 91 Block first atom: 5702 Blocpdb> 52 atoms in block 92 Block first atom: 5766 Blocpdb> 70 atoms in block 93 Block first atom: 5818 Blocpdb> 59 atoms in block 94 Block first atom: 5888 Blocpdb> 64 atoms in block 95 Block first atom: 5947 Blocpdb> 78 atoms in block 96 Block first atom: 6011 Blocpdb> 48 atoms in block 97 Block first atom: 6089 Blocpdb> 60 atoms in block 98 Block first atom: 6137 Blocpdb> 52 atoms in block 99 Block first atom: 6197 Blocpdb> 73 atoms in block 100 Block first atom: 6249 Blocpdb> 63 atoms in block 101 Block first atom: 6322 Blocpdb> 57 atoms in block 102 Block first atom: 6385 Blocpdb> 64 atoms in block 103 Block first atom: 6442 Blocpdb> 65 atoms in block 104 Block first atom: 6506 Blocpdb> 63 atoms in block 105 Block first atom: 6571 Blocpdb> 68 atoms in block 106 Block first atom: 6634 Blocpdb> 67 atoms in block 107 Block first atom: 6702 Blocpdb> 84 atoms in block 108 Block first atom: 6769 Blocpdb> 23 atoms in block 109 Block first atom: 6853 Blocpdb> 68 atoms in block 110 Block first atom: 6876 Blocpdb> 54 atoms in block 111 Block first atom: 6944 Blocpdb> 74 atoms in block 112 Block first atom: 6998 Blocpdb> 58 atoms in block 113 Block first atom: 7072 Blocpdb> 64 atoms in block 114 Block first atom: 7130 Blocpdb> 63 atoms in block 115 Block first atom: 7194 Blocpdb> 69 atoms in block 116 Block first atom: 7257 Blocpdb> 64 atoms in block 117 Block first atom: 7326 Blocpdb> 74 atoms in block 118 Block first atom: 7390 Blocpdb> 73 atoms in block 119 Block first atom: 7464 Blocpdb> 62 atoms in block 120 Block first atom: 7537 Blocpdb> 60 atoms in block 121 Block first atom: 7599 Blocpdb> 58 atoms in block 122 Block first atom: 7659 Blocpdb> 68 atoms in block 123 Block first atom: 7717 Blocpdb> 78 atoms in block 124 Block first atom: 7785 Blocpdb> 70 atoms in block 125 Block first atom: 7863 Blocpdb> 60 atoms in block 126 Block first atom: 7933 Blocpdb> 21 atoms in block 127 Block first atom: 7993 Blocpdb> 66 atoms in block 128 Block first atom: 8014 Blocpdb> 58 atoms in block 129 Block first atom: 8080 Blocpdb> 63 atoms in block 130 Block first atom: 8138 Blocpdb> 63 atoms in block 131 Block first atom: 8201 Blocpdb> 68 atoms in block 132 Block first atom: 8264 Blocpdb> 73 atoms in block 133 Block first atom: 8332 Blocpdb> 71 atoms in block 134 Block first atom: 8405 Blocpdb> 51 atoms in block 135 Block first atom: 8476 Blocpdb> 52 atoms in block 136 Block first atom: 8527 Blocpdb> 41 atoms in block 137 Block first atom: 8579 Blocpdb> 56 atoms in block 138 Block first atom: 8620 Blocpdb> 54 atoms in block 139 Block first atom: 8676 Blocpdb> 60 atoms in block 140 Block first atom: 8730 Blocpdb> 44 atoms in block 141 Block first atom: 8790 Blocpdb> 71 atoms in block 142 Block first atom: 8834 Blocpdb> 59 atoms in block 143 Block first atom: 8905 Blocpdb> 46 atoms in block 144 Block first atom: 8964 Blocpdb> 69 atoms in block 145 Block first atom: 9010 Blocpdb> 71 atoms in block 146 Block first atom: 9079 Blocpdb> 51 atoms in block 147 Block first atom: 9150 Blocpdb> 74 atoms in block 148 Block first atom: 9201 Blocpdb> 66 atoms in block 149 Block first atom: 9275 Blocpdb> 65 atoms in block 150 Block first atom: 9341 Blocpdb> 55 atoms in block 151 Block first atom: 9406 Blocpdb> 50 atoms in block 152 Block first atom: 9461 Blocpdb> 43 atoms in block 153 Block first atom: 9511 Blocpdb> 65 atoms in block 154 Block first atom: 9554 Blocpdb> 16 atoms in block 155 Block first atom: 9618 Blocpdb> 155 blocks. Blocpdb> At most, 84 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> 6660717 matrix lines read. Prepmat> Matrix order = 28902 Prepmat> Matrix trace = 14675140.0000 Prepmat> Last element read: 28902 28902 89.7431 Prepmat> 12091 lines saved. Prepmat> 10624 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: 9634 RTB> Total mass = 9634.0000 RTB> Number of atoms found in matrix: 9634 RTB> Number of blocks = 155 RTB> Projection begins. RTB> Projected matrix is being saved. RTB> Projected matrix trace = 336060.7152 RTB> 50451 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: 50451 Diagstd> Projected matrix trace = 336060.7152 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 = 336060.7152 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 0.1088066 0.1512580 0.5047009 0.8275627 1.1998071 1.2853215 1.5777894 1.7343850 1.8310122 2.1444469 2.2510620 3.0617115 4.4389449 4.5751622 5.7920761 6.2068194 6.5387361 6.7334128 6.8619926 7.3249465 7.5003777 8.0355037 8.7779858 8.9424640 9.4616997 10.1434769 10.4159411 11.2477393 12.6959291 13.4413650 13.8672870 14.7651864 14.9202227 15.6744291 16.3813747 18.6671445 19.0689412 19.2028204 19.7678739 21.1575596 21.5695324 22.7632569 23.0209860 23.5499588 24.6279518 25.8367877 26.3127009 26.9800314 27.8346344 28.6944306 29.4485577 30.3120155 31.1175245 31.8858447 32.2068361 33.1351742 34.1295321 34.6025362 35.0159181 35.5483074 37.3098933 38.7355000 39.0398483 40.1265225 41.1166419 42.6646920 42.8180086 43.4452940 44.7422859 45.6331085 47.3650979 47.4259673 48.3864960 49.9393014 50.5372512 51.2961032 52.8096084 53.3934274 54.7765060 55.4079459 56.8670491 57.1924259 57.7476025 59.3307996 59.9823046 61.1464994 61.9243122 63.5782275 63.7555081 64.3701113 64.7625791 66.7669890 67.3697154 67.8838433 68.2058865 68.9449346 69.4538369 71.3603466 71.9915184 73.3013043 Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units): 0.0034292 0.0034316 0.0034330 0.0034330 0.0034337 0.0034339 35.8197741 42.2332517 77.1458026 98.7860756 118.9463159 123.1122219 136.4017027 143.0105342 146.9402913 159.0204304 162.9254807 190.0104190 228.7890082 232.2728922 261.3439248 270.5389721 277.6784559 281.7817752 284.4594744 293.8985937 297.3971803 307.8235440 321.7308575 324.7310979 334.0256831 345.8507345 350.4649081 364.1899035 386.9256530 398.1227243 404.3812697 417.2676800 419.4526411 429.9234615 439.5117117 469.1743105 474.1967464 475.8584554 482.8088936 499.4914596 504.3309782 518.0986735 521.0234148 526.9754164 538.9015442 551.9688113 557.0292421 564.0485741 572.9121613 581.6933326 589.2875895 597.8643914 605.7561053 613.1888419 616.2675663 625.0861976 634.3960163 638.7769642 642.5812358 647.4477765 663.2958552 675.8492925 678.4992012 687.8774021 696.3123518 709.2993921 710.5726911 715.7587250 726.3640889 733.5594343 747.3507934 747.8308534 755.3658853 767.3906644 771.9711821 777.7454295 789.1358139 793.4858382 803.6971783 808.3162420 818.8901109 821.2294956 825.2057765 836.4411315 841.0210273 849.1434811 854.5271706 865.8636111 867.0699513 871.2392055 873.8911637 887.3116340 891.3076553 894.7021713 896.8219089 901.6675961 904.9892108 917.3261111 921.3739873 929.7177694 Diagstd> Normal end. Rtb_to_modes> Entering in. Rtb_to_modes> Number of atoms in temporary block-file = 9634 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: 9.9725E-10 Rdmodfacs> Eigenvector number: 2 Rdmodfacs> Corresponding eigenvalue: 9.9862E-10 Rdmodfacs> Eigenvector number: 3 Rdmodfacs> Corresponding eigenvalue: 9.9941E-10 Rdmodfacs> Eigenvector number: 4 Rdmodfacs> Corresponding eigenvalue: 9.9943E-10 Rdmodfacs> Eigenvector number: 5 Rdmodfacs> Corresponding eigenvalue: 9.9983E-10 Rdmodfacs> Eigenvector number: 6 Rdmodfacs> Corresponding eigenvalue: 9.9995E-10 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: 0.5047 Rdmodfacs> Eigenvector number: 10 Rdmodfacs> Corresponding eigenvalue: 0.8276 Rdmodfacs> Eigenvector number: 11 Rdmodfacs> Corresponding eigenvalue: 1.200 Rdmodfacs> Eigenvector number: 12 Rdmodfacs> Corresponding eigenvalue: 1.285 Rdmodfacs> Eigenvector number: 13 Rdmodfacs> Corresponding eigenvalue: 1.578 Rdmodfacs> Eigenvector number: 14 Rdmodfacs> Corresponding eigenvalue: 1.734 Rdmodfacs> Eigenvector number: 15 Rdmodfacs> Corresponding eigenvalue: 1.831 Rdmodfacs> Eigenvector number: 16 Rdmodfacs> Corresponding eigenvalue: 2.144 Rdmodfacs> Eigenvector number: 17 Rdmodfacs> Corresponding eigenvalue: 2.251 Rdmodfacs> Eigenvector number: 18 Rdmodfacs> Corresponding eigenvalue: 3.062 Rdmodfacs> Eigenvector number: 19 Rdmodfacs> Corresponding eigenvalue: 4.439 Rdmodfacs> Eigenvector number: 20 Rdmodfacs> Corresponding eigenvalue: 4.575 Rdmodfacs> Eigenvector number: 21 Rdmodfacs> Corresponding eigenvalue: 5.792 Rdmodfacs> Eigenvector number: 22 Rdmodfacs> Corresponding eigenvalue: 6.207 Rdmodfacs> Eigenvector number: 23 Rdmodfacs> Corresponding eigenvalue: 6.539 Rdmodfacs> Eigenvector number: 24 Rdmodfacs> Corresponding eigenvalue: 6.733 Rdmodfacs> Eigenvector number: 25 Rdmodfacs> Corresponding eigenvalue: 6.862 Rdmodfacs> Eigenvector number: 26 Rdmodfacs> Corresponding eigenvalue: 7.325 Rdmodfacs> Eigenvector number: 27 Rdmodfacs> Corresponding eigenvalue: 7.500 Rdmodfacs> Eigenvector number: 28 Rdmodfacs> Corresponding eigenvalue: 8.036 Rdmodfacs> Eigenvector number: 29 Rdmodfacs> Corresponding eigenvalue: 8.778 Rdmodfacs> Eigenvector number: 30 Rdmodfacs> Corresponding eigenvalue: 8.942 Rdmodfacs> Eigenvector number: 31 Rdmodfacs> Corresponding eigenvalue: 9.462 Rdmodfacs> Eigenvector number: 32 Rdmodfacs> Corresponding eigenvalue: 10.14 Rdmodfacs> Eigenvector number: 33 Rdmodfacs> Corresponding eigenvalue: 10.42 Rdmodfacs> Eigenvector number: 34 Rdmodfacs> Corresponding eigenvalue: 11.25 Rdmodfacs> Eigenvector number: 35 Rdmodfacs> Corresponding eigenvalue: 12.70 Rdmodfacs> Eigenvector number: 36 Rdmodfacs> Corresponding eigenvalue: 13.44 Rdmodfacs> Eigenvector number: 37 Rdmodfacs> Corresponding eigenvalue: 13.87 Rdmodfacs> Eigenvector number: 38 Rdmodfacs> Corresponding eigenvalue: 14.77 Rdmodfacs> Eigenvector number: 39 Rdmodfacs> Corresponding eigenvalue: 14.92 Rdmodfacs> Eigenvector number: 40 Rdmodfacs> Corresponding eigenvalue: 15.67 Rdmodfacs> Eigenvector number: 41 Rdmodfacs> Corresponding eigenvalue: 16.38 Rdmodfacs> Eigenvector number: 42 Rdmodfacs> Corresponding eigenvalue: 18.67 Rdmodfacs> Eigenvector number: 43 Rdmodfacs> Corresponding eigenvalue: 19.07 Rdmodfacs> Eigenvector number: 44 Rdmodfacs> Corresponding eigenvalue: 19.20 Rdmodfacs> Eigenvector number: 45 Rdmodfacs> Corresponding eigenvalue: 19.77 Rdmodfacs> Eigenvector number: 46 Rdmodfacs> Corresponding eigenvalue: 21.16 Rdmodfacs> Eigenvector number: 47 Rdmodfacs> Corresponding eigenvalue: 21.57 Rdmodfacs> Eigenvector number: 48 Rdmodfacs> Corresponding eigenvalue: 22.76 Rdmodfacs> Eigenvector number: 49 Rdmodfacs> Corresponding eigenvalue: 23.02 Rdmodfacs> Eigenvector number: 50 Rdmodfacs> Corresponding eigenvalue: 23.55 Rdmodfacs> Eigenvector number: 51 Rdmodfacs> Corresponding eigenvalue: 24.63 Rdmodfacs> Eigenvector number: 52 Rdmodfacs> Corresponding eigenvalue: 25.84 Rdmodfacs> Eigenvector number: 53 Rdmodfacs> Corresponding eigenvalue: 26.31 Rdmodfacs> Eigenvector number: 54 Rdmodfacs> Corresponding eigenvalue: 26.98 Rdmodfacs> Eigenvector number: 55 Rdmodfacs> Corresponding eigenvalue: 27.83 Rdmodfacs> Eigenvector number: 56 Rdmodfacs> Corresponding eigenvalue: 28.69 Rdmodfacs> Eigenvector number: 57 Rdmodfacs> Corresponding eigenvalue: 29.45 Rdmodfacs> Eigenvector number: 58 Rdmodfacs> Corresponding eigenvalue: 30.31 Rdmodfacs> Eigenvector number: 59 Rdmodfacs> Corresponding eigenvalue: 31.12 Rdmodfacs> Eigenvector number: 60 Rdmodfacs> Corresponding eigenvalue: 31.89 Rdmodfacs> Eigenvector number: 61 Rdmodfacs> Corresponding eigenvalue: 32.21 Rdmodfacs> Eigenvector number: 62 Rdmodfacs> Corresponding eigenvalue: 33.14 Rdmodfacs> Eigenvector number: 63 Rdmodfacs> Corresponding eigenvalue: 34.13 Rdmodfacs> Eigenvector number: 64 Rdmodfacs> Corresponding eigenvalue: 34.60 Rdmodfacs> Eigenvector number: 65 Rdmodfacs> Corresponding eigenvalue: 35.02 Rdmodfacs> Eigenvector number: 66 Rdmodfacs> Corresponding eigenvalue: 35.55 Rdmodfacs> Eigenvector number: 67 Rdmodfacs> Corresponding eigenvalue: 37.31 Rdmodfacs> Eigenvector number: 68 Rdmodfacs> Corresponding eigenvalue: 38.74 Rdmodfacs> Eigenvector number: 69 Rdmodfacs> Corresponding eigenvalue: 39.04 Rdmodfacs> Eigenvector number: 70 Rdmodfacs> Corresponding eigenvalue: 40.13 Rdmodfacs> Eigenvector number: 71 Rdmodfacs> Corresponding eigenvalue: 41.12 Rdmodfacs> Eigenvector number: 72 Rdmodfacs> Corresponding eigenvalue: 42.66 Rdmodfacs> Eigenvector number: 73 Rdmodfacs> Corresponding eigenvalue: 42.82 Rdmodfacs> Eigenvector number: 74 Rdmodfacs> Corresponding eigenvalue: 43.45 Rdmodfacs> Eigenvector number: 75 Rdmodfacs> Corresponding eigenvalue: 44.74 Rdmodfacs> Eigenvector number: 76 Rdmodfacs> Corresponding eigenvalue: 45.63 Rdmodfacs> Eigenvector number: 77 Rdmodfacs> Corresponding eigenvalue: 47.37 Rdmodfacs> Eigenvector number: 78 Rdmodfacs> Corresponding eigenvalue: 47.43 Rdmodfacs> Eigenvector number: 79 Rdmodfacs> Corresponding eigenvalue: 48.39 Rdmodfacs> Eigenvector number: 80 Rdmodfacs> Corresponding eigenvalue: 49.94 Rdmodfacs> Eigenvector number: 81 Rdmodfacs> Corresponding eigenvalue: 50.54 Rdmodfacs> Eigenvector number: 82 Rdmodfacs> Corresponding eigenvalue: 51.30 Rdmodfacs> Eigenvector number: 83 Rdmodfacs> Corresponding eigenvalue: 52.81 Rdmodfacs> Eigenvector number: 84 Rdmodfacs> Corresponding eigenvalue: 53.39 Rdmodfacs> Eigenvector number: 85 Rdmodfacs> Corresponding eigenvalue: 54.78 Rdmodfacs> Eigenvector number: 86 Rdmodfacs> Corresponding eigenvalue: 55.41 Rdmodfacs> Eigenvector number: 87 Rdmodfacs> Corresponding eigenvalue: 56.87 Rdmodfacs> Eigenvector number: 88 Rdmodfacs> Corresponding eigenvalue: 57.19 Rdmodfacs> Eigenvector number: 89 Rdmodfacs> Corresponding eigenvalue: 57.75 Rdmodfacs> Eigenvector number: 90 Rdmodfacs> Corresponding eigenvalue: 59.33 Rdmodfacs> Eigenvector number: 91 Rdmodfacs> Corresponding eigenvalue: 59.98 Rdmodfacs> Eigenvector number: 92 Rdmodfacs> Corresponding eigenvalue: 61.15 Rdmodfacs> Eigenvector number: 93 Rdmodfacs> Corresponding eigenvalue: 61.92 Rdmodfacs> Eigenvector number: 94 Rdmodfacs> Corresponding eigenvalue: 63.58 Rdmodfacs> Eigenvector number: 95 Rdmodfacs> Corresponding eigenvalue: 63.76 Rdmodfacs> Eigenvector number: 96 Rdmodfacs> Corresponding eigenvalue: 64.37 Rdmodfacs> Eigenvector number: 97 Rdmodfacs> Corresponding eigenvalue: 64.76 Rdmodfacs> Eigenvector number: 98 Rdmodfacs> Corresponding eigenvalue: 66.77 Rdmodfacs> Eigenvector number: 99 Rdmodfacs> Corresponding eigenvalue: 67.37 Rdmodfacs> Eigenvector number: 100 Rdmodfacs> Corresponding eigenvalue: 67.88 Rdmodfacs> Eigenvector number: 101 Rdmodfacs> Corresponding eigenvalue: 68.21 Rdmodfacs> Eigenvector number: 102 Rdmodfacs> Corresponding eigenvalue: 68.94 Rdmodfacs> Eigenvector number: 103 Rdmodfacs> Corresponding eigenvalue: 69.45 Rdmodfacs> Eigenvector number: 104 Rdmodfacs> Corresponding eigenvalue: 71.36 Rdmodfacs> Eigenvector number: 105 Rdmodfacs> Corresponding eigenvalue: 71.99 Rdmodfacs> Eigenvector number: 106 Rdmodfacs> Corresponding eigenvalue: 73.30 Rtb_to_modes> 106 vectors, with 930 coordinates in vector file. Norm of eigenvectors in projected coordinates (one expected): 1.00000 1.00000 0.99998 0.99999 1.00001 1.00000 0.99999 0.99999 1.00002 1.00001 1.00001 0.99993 0.99996 1.00000 0.99996 0.99999 1.00000 0.99997 1.00001 0.99997 1.00000 0.99999 0.99997 0.99998 1.00002 1.00000 1.00002 1.00002 1.00001 1.00003 1.00001 1.00004 0.99997 0.99999 1.00000 0.99998 0.99997 0.99999 0.99997 0.99999 0.99999 1.00003 1.00004 1.00001 1.00000 1.00002 0.99998 1.00000 1.00000 0.99999 1.00002 1.00000 1.00000 1.00000 1.00001 0.99999 1.00001 1.00002 1.00000 1.00001 1.00001 0.99999 1.00001 1.00000 0.99999 1.00001 1.00001 1.00002 0.99999 0.99998 1.00000 1.00000 0.99995 0.99998 0.99999 1.00000 0.99999 0.99999 1.00000 0.99999 1.00000 1.00001 1.00000 0.99999 0.99999 1.00000 1.00000 0.99998 1.00001 1.00003 0.99998 1.00001 0.99999 0.99999 0.99998 0.99999 1.00000 0.99998 1.00000 1.00001 1.00000 1.00002 1.00002 1.00001 1.00000 1.00000 Rtb_to_modes> RTB block-file is being read. Rtb_to_modes> 173412 lines found in RTB file. Norm of eigenvectors in cartesian coordinates (one expected): 1.00000 1.00000 0.99998 0.99999 1.00001 1.00000 0.99999 0.99999 1.00002 1.00001 1.00001 0.99993 0.99996 1.00000 0.99996 0.99999 1.00000 0.99997 1.00001 0.99997 1.00000 0.99999 0.99997 0.99998 1.00002 1.00000 1.00002 1.00002 1.00001 1.00003 1.00001 1.00004 0.99997 0.99999 1.00000 0.99998 0.99997 0.99999 0.99997 0.99999 0.99999 1.00003 1.00004 1.00001 1.00000 1.00002 0.99998 1.00000 1.00000 0.99999 1.00002 1.00000 1.00000 1.00000 1.00001 0.99999 1.00001 1.00002 1.00000 1.00001 1.00001 0.99999 1.00001 1.00000 0.99999 1.00001 1.00001 1.00002 0.99999 0.99998 1.00000 1.00000 0.99995 0.99998 0.99999 1.00000 0.99999 0.99999 1.00000 0.99999 1.00000 1.00001 1.00000 0.99999 0.99999 1.00000 1.00000 0.99998 1.00001 1.00003 0.99998 1.00001 0.99999 0.99999 0.99998 0.99999 1.00000 0.99998 1.00000 1.00001 1.00000 1.00002 1.00002 1.00001 1.00000 1.00000 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> 2607192210472627078.eigenfacs Openam> file on opening on unit 10: 2607192210472627078.eigenfacs Getnam> Corresponding pdb filename ? Getnam> 2607192210472627078.atom Openam> file on opening on unit 11: 2607192210472627078.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 = 612 First residue number = 1 Last residue number = 612 Number of atoms found = 9634 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: 9.9725E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 2 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9862E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 3 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9941E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 4 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9943E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 5 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9983E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 6 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9995E-10 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: 0.5047 Rdmodfacs> Numero du vecteur CERFACS en lecture: 10 Rdmodfacs> Valeur propre du vecteur en lecture: 0.8276 Rdmodfacs> Numero du vecteur CERFACS en lecture: 11 Rdmodfacs> Valeur propre du vecteur en lecture: 1.200 Rdmodfacs> Numero du vecteur CERFACS en lecture: 12 Rdmodfacs> Valeur propre du vecteur en lecture: 1.285 Rdmodfacs> Numero du vecteur CERFACS en lecture: 13 Rdmodfacs> Valeur propre du vecteur en lecture: 1.578 Rdmodfacs> Numero du vecteur CERFACS en lecture: 14 Rdmodfacs> Valeur propre du vecteur en lecture: 1.734 Rdmodfacs> Numero du vecteur CERFACS en lecture: 15 Rdmodfacs> Valeur propre du vecteur en lecture: 1.831 Rdmodfacs> Numero du vecteur CERFACS en lecture: 16 Rdmodfacs> Valeur propre du vecteur en lecture: 2.144 Rdmodfacs> Numero du vecteur CERFACS en lecture: 17 Rdmodfacs> Valeur propre du vecteur en lecture: 2.251 Rdmodfacs> Numero du vecteur CERFACS en lecture: 18 Rdmodfacs> Valeur propre du vecteur en lecture: 3.062 Rdmodfacs> Numero du vecteur CERFACS en lecture: 19 Rdmodfacs> Valeur propre du vecteur en lecture: 4.439 Rdmodfacs> Numero du vecteur CERFACS en lecture: 20 Rdmodfacs> Valeur propre du vecteur en lecture: 4.575 Rdmodfacs> Numero du vecteur CERFACS en lecture: 21 Rdmodfacs> Valeur propre du vecteur en lecture: 5.792 Rdmodfacs> Numero du vecteur CERFACS en lecture: 22 Rdmodfacs> Valeur propre du vecteur en lecture: 6.207 Rdmodfacs> Numero du vecteur CERFACS en lecture: 23 Rdmodfacs> Valeur propre du vecteur en lecture: 6.539 Rdmodfacs> Numero du vecteur CERFACS en lecture: 24 Rdmodfacs> Valeur propre du vecteur en lecture: 6.733 Rdmodfacs> Numero du vecteur CERFACS en lecture: 25 Rdmodfacs> Valeur propre du vecteur en lecture: 6.862 Rdmodfacs> Numero du vecteur CERFACS en lecture: 26 Rdmodfacs> Valeur propre du vecteur en lecture: 7.325 Rdmodfacs> Numero du vecteur CERFACS en lecture: 27 Rdmodfacs> Valeur propre du vecteur en lecture: 7.500 Rdmodfacs> Numero du vecteur CERFACS en lecture: 28 Rdmodfacs> Valeur propre du vecteur en lecture: 8.036 Rdmodfacs> Numero du vecteur CERFACS en lecture: 29 Rdmodfacs> Valeur propre du vecteur en lecture: 8.778 Rdmodfacs> Numero du vecteur CERFACS en lecture: 30 Rdmodfacs> Valeur propre du vecteur en lecture: 8.942 Rdmodfacs> Numero du vecteur CERFACS en lecture: 31 Rdmodfacs> Valeur propre du vecteur en lecture: 9.462 Rdmodfacs> Numero du vecteur CERFACS en lecture: 32 Rdmodfacs> Valeur propre du vecteur en lecture: 10.14 Rdmodfacs> Numero du vecteur CERFACS en lecture: 33 Rdmodfacs> Valeur propre du vecteur en lecture: 10.42 Rdmodfacs> Numero du vecteur CERFACS en lecture: 34 Rdmodfacs> Valeur propre du vecteur en lecture: 11.25 Rdmodfacs> Numero du vecteur CERFACS en lecture: 35 Rdmodfacs> Valeur propre du vecteur en lecture: 12.70 Rdmodfacs> Numero du vecteur CERFACS en lecture: 36 Rdmodfacs> Valeur propre du vecteur en lecture: 13.44 Rdmodfacs> Numero du vecteur CERFACS en lecture: 37 Rdmodfacs> Valeur propre du vecteur en lecture: 13.87 Rdmodfacs> Numero du vecteur CERFACS en lecture: 38 Rdmodfacs> Valeur propre du vecteur en lecture: 14.77 Rdmodfacs> Numero du vecteur CERFACS en lecture: 39 Rdmodfacs> Valeur propre du vecteur en lecture: 14.92 Rdmodfacs> Numero du vecteur CERFACS en lecture: 40 Rdmodfacs> Valeur propre du vecteur en lecture: 15.67 Rdmodfacs> Numero du vecteur CERFACS en lecture: 41 Rdmodfacs> Valeur propre du vecteur en lecture: 16.38 Rdmodfacs> Numero du vecteur CERFACS en lecture: 42 Rdmodfacs> Valeur propre du vecteur en lecture: 18.67 Rdmodfacs> Numero du vecteur CERFACS en lecture: 43 Rdmodfacs> Valeur propre du vecteur en lecture: 19.07 Rdmodfacs> Numero du vecteur CERFACS en lecture: 44 Rdmodfacs> Valeur propre du vecteur en lecture: 19.20 Rdmodfacs> Numero du vecteur CERFACS en lecture: 45 Rdmodfacs> Valeur propre du vecteur en lecture: 19.77 Rdmodfacs> Numero du vecteur CERFACS en lecture: 46 Rdmodfacs> Valeur propre du vecteur en lecture: 21.16 Rdmodfacs> Numero du vecteur CERFACS en lecture: 47 Rdmodfacs> Valeur propre du vecteur en lecture: 21.57 Rdmodfacs> Numero du vecteur CERFACS en lecture: 48 Rdmodfacs> Valeur propre du vecteur en lecture: 22.76 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: 23.55 Rdmodfacs> Numero du vecteur CERFACS en lecture: 51 Rdmodfacs> Valeur propre du vecteur en lecture: 24.63 Rdmodfacs> Numero du vecteur CERFACS en lecture: 52 Rdmodfacs> Valeur propre du vecteur en lecture: 25.84 Rdmodfacs> Numero du vecteur CERFACS en lecture: 53 Rdmodfacs> Valeur propre du vecteur en lecture: 26.31 Rdmodfacs> Numero du vecteur CERFACS en lecture: 54 Rdmodfacs> Valeur propre du vecteur en lecture: 26.98 Rdmodfacs> Numero du vecteur CERFACS en lecture: 55 Rdmodfacs> Valeur propre du vecteur en lecture: 27.83 Rdmodfacs> Numero du vecteur CERFACS en lecture: 56 Rdmodfacs> Valeur propre du vecteur en lecture: 28.69 Rdmodfacs> Numero du vecteur CERFACS en lecture: 57 Rdmodfacs> Valeur propre du vecteur en lecture: 29.45 Rdmodfacs> Numero du vecteur CERFACS en lecture: 58 Rdmodfacs> Valeur propre du vecteur en lecture: 30.31 Rdmodfacs> Numero du vecteur CERFACS en lecture: 59 Rdmodfacs> Valeur propre du vecteur en lecture: 31.12 Rdmodfacs> Numero du vecteur CERFACS en lecture: 60 Rdmodfacs> Valeur propre du vecteur en lecture: 31.89 Rdmodfacs> Numero du vecteur CERFACS en lecture: 61 Rdmodfacs> Valeur propre du vecteur en lecture: 32.21 Rdmodfacs> Numero du vecteur CERFACS en lecture: 62 Rdmodfacs> Valeur propre du vecteur en lecture: 33.14 Rdmodfacs> Numero du vecteur CERFACS en lecture: 63 Rdmodfacs> Valeur propre du vecteur en lecture: 34.13 Rdmodfacs> Numero du vecteur CERFACS en lecture: 64 Rdmodfacs> Valeur propre du vecteur en lecture: 34.60 Rdmodfacs> Numero du vecteur CERFACS en lecture: 65 Rdmodfacs> Valeur propre du vecteur en lecture: 35.02 Rdmodfacs> Numero du vecteur CERFACS en lecture: 66 Rdmodfacs> Valeur propre du vecteur en lecture: 35.55 Rdmodfacs> Numero du vecteur CERFACS en lecture: 67 Rdmodfacs> Valeur propre du vecteur en lecture: 37.31 Rdmodfacs> Numero du vecteur CERFACS en lecture: 68 Rdmodfacs> Valeur propre du vecteur en lecture: 38.74 Rdmodfacs> Numero du vecteur CERFACS en lecture: 69 Rdmodfacs> Valeur propre du vecteur en lecture: 39.04 Rdmodfacs> Numero du vecteur CERFACS en lecture: 70 Rdmodfacs> Valeur propre du vecteur en lecture: 40.13 Rdmodfacs> Numero du vecteur CERFACS en lecture: 71 Rdmodfacs> Valeur propre du vecteur en lecture: 41.12 Rdmodfacs> Numero du vecteur CERFACS en lecture: 72 Rdmodfacs> Valeur propre du vecteur en lecture: 42.66 Rdmodfacs> Numero du vecteur CERFACS en lecture: 73 Rdmodfacs> Valeur propre du vecteur en lecture: 42.82 Rdmodfacs> Numero du vecteur CERFACS en lecture: 74 Rdmodfacs> Valeur propre du vecteur en lecture: 43.45 Rdmodfacs> Numero du vecteur CERFACS en lecture: 75 Rdmodfacs> Valeur propre du vecteur en lecture: 44.74 Rdmodfacs> Numero du vecteur CERFACS en lecture: 76 Rdmodfacs> Valeur propre du vecteur en lecture: 45.63 Rdmodfacs> Numero du vecteur CERFACS en lecture: 77 Rdmodfacs> Valeur propre du vecteur en lecture: 47.37 Rdmodfacs> Numero du vecteur CERFACS en lecture: 78 Rdmodfacs> Valeur propre du vecteur en lecture: 47.43 Rdmodfacs> Numero du vecteur CERFACS en lecture: 79 Rdmodfacs> Valeur propre du vecteur en lecture: 48.39 Rdmodfacs> Numero du vecteur CERFACS en lecture: 80 Rdmodfacs> Valeur propre du vecteur en lecture: 49.94 Rdmodfacs> Numero du vecteur CERFACS en lecture: 81 Rdmodfacs> Valeur propre du vecteur en lecture: 50.54 Rdmodfacs> Numero du vecteur CERFACS en lecture: 82 Rdmodfacs> Valeur propre du vecteur en lecture: 51.30 Rdmodfacs> Numero du vecteur CERFACS en lecture: 83 Rdmodfacs> Valeur propre du vecteur en lecture: 52.81 Rdmodfacs> Numero du vecteur CERFACS en lecture: 84 Rdmodfacs> Valeur propre du vecteur en lecture: 53.39 Rdmodfacs> Numero du vecteur CERFACS en lecture: 85 Rdmodfacs> Valeur propre du vecteur en lecture: 54.78 Rdmodfacs> Numero du vecteur CERFACS en lecture: 86 Rdmodfacs> Valeur propre du vecteur en lecture: 55.41 Rdmodfacs> Numero du vecteur CERFACS en lecture: 87 Rdmodfacs> Valeur propre du vecteur en lecture: 56.87 Rdmodfacs> Numero du vecteur CERFACS en lecture: 88 Rdmodfacs> Valeur propre du vecteur en lecture: 57.19 Rdmodfacs> Numero du vecteur CERFACS en lecture: 89 Rdmodfacs> Valeur propre du vecteur en lecture: 57.75 Rdmodfacs> Numero du vecteur CERFACS en lecture: 90 Rdmodfacs> Valeur propre du vecteur en lecture: 59.33 Rdmodfacs> Numero du vecteur CERFACS en lecture: 91 Rdmodfacs> Valeur propre du vecteur en lecture: 59.98 Rdmodfacs> Numero du vecteur CERFACS en lecture: 92 Rdmodfacs> Valeur propre du vecteur en lecture: 61.15 Rdmodfacs> Numero du vecteur CERFACS en lecture: 93 Rdmodfacs> Valeur propre du vecteur en lecture: 61.92 Rdmodfacs> Numero du vecteur CERFACS en lecture: 94 Rdmodfacs> Valeur propre du vecteur en lecture: 63.58 Rdmodfacs> Numero du vecteur CERFACS en lecture: 95 Rdmodfacs> Valeur propre du vecteur en lecture: 63.76 Rdmodfacs> Numero du vecteur CERFACS en lecture: 96 Rdmodfacs> Valeur propre du vecteur en lecture: 64.37 Rdmodfacs> Numero du vecteur CERFACS en lecture: 97 Rdmodfacs> Valeur propre du vecteur en lecture: 64.76 Rdmodfacs> Numero du vecteur CERFACS en lecture: 98 Rdmodfacs> Valeur propre du vecteur en lecture: 66.77 Rdmodfacs> Numero du vecteur CERFACS en lecture: 99 Rdmodfacs> Valeur propre du vecteur en lecture: 67.37 Rdmodfacs> Numero du vecteur CERFACS en lecture: 100 Rdmodfacs> Valeur propre du vecteur en lecture: 67.88 Rdmodfacs> Numero du vecteur CERFACS en lecture: 101 Rdmodfacs> Valeur propre du vecteur en lecture: 68.21 Rdmodfacs> Numero du vecteur CERFACS en lecture: 102 Rdmodfacs> Valeur propre du vecteur en lecture: 68.94 Rdmodfacs> Numero du vecteur CERFACS en lecture: 103 Rdmodfacs> Valeur propre du vecteur en lecture: 69.45 Rdmodfacs> Numero du vecteur CERFACS en lecture: 104 Rdmodfacs> Valeur propre du vecteur en lecture: 71.36 Rdmodfacs> Numero du vecteur CERFACS en lecture: 105 Rdmodfacs> Valeur propre du vecteur en lecture: 71.99 Rdmodfacs> Numero du vecteur CERFACS en lecture: 106 Rdmodfacs> Valeur propre du vecteur en lecture: 73.30 Bfactors> 106 vectors, 28902 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= -0.396 for 612 C-alpha atoms. Bfactors> = 0.043 +/- 0.23 Bfactors> = 78.859 +/- 13.39 Bfactors> Shiftng-fct= 78.816 Bfactors> Scaling-fct= 58.584 Bfactors> Predicted, Scaled and Experimental B-factors are saved. Bfactors> Normal end. check_modes Chkmod> Version 1.00, Bordeaux. Getnam> Eigenvector filename ? Getnam> 2607192210472627078.eigenfacs Openam> file on opening on unit 10: 2607192210472627078.eigenfacs Rdmodfacs> Old Blzpack file format detected. Rdmodfacs> Numero du vecteur CERFACS en lecture: 1 Rdmodfacs> Frequence du vecteur en lecture: 3.4291E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 2 Rdmodfacs> Frequence du vecteur en lecture: 3.4314E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 3 Rdmodfacs> Frequence du vecteur en lecture: 3.4328E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 4 Rdmodfacs> Frequence du vecteur en lecture: 3.4328E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 5 Rdmodfacs> Frequence du vecteur en lecture: 3.4335E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 6 Rdmodfacs> Frequence du vecteur en lecture: 3.4337E-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: 77.14 Rdmodfacs> Numero du vecteur CERFACS en lecture: 10 Rdmodfacs> Frequence du vecteur en lecture: 98.78 Rdmodfacs> Numero du vecteur CERFACS en lecture: 11 Rdmodfacs> Frequence du vecteur en lecture: 119.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 12 Rdmodfacs> Frequence du vecteur en lecture: 123.1 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: 143.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 15 Rdmodfacs> Frequence du vecteur en lecture: 146.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 16 Rdmodfacs> Frequence du vecteur en lecture: 159.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 17 Rdmodfacs> Frequence du vecteur en lecture: 162.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 18 Rdmodfacs> Frequence du vecteur en lecture: 190.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 19 Rdmodfacs> Frequence du vecteur en lecture: 228.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 20 Rdmodfacs> Frequence du vecteur en lecture: 232.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 21 Rdmodfacs> Frequence du vecteur en lecture: 261.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 22 Rdmodfacs> Frequence du vecteur en lecture: 270.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 23 Rdmodfacs> Frequence du vecteur en lecture: 277.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 24 Rdmodfacs> Frequence du vecteur en lecture: 281.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 25 Rdmodfacs> Frequence du vecteur en lecture: 284.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 26 Rdmodfacs> Frequence du vecteur en lecture: 293.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 27 Rdmodfacs> Frequence du vecteur en lecture: 297.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 28 Rdmodfacs> Frequence du vecteur en lecture: 307.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 29 Rdmodfacs> Frequence du vecteur en lecture: 321.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 30 Rdmodfacs> Frequence du vecteur en lecture: 324.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 31 Rdmodfacs> Frequence du vecteur en lecture: 334.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 32 Rdmodfacs> Frequence du vecteur en lecture: 345.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 33 Rdmodfacs> Frequence du vecteur en lecture: 350.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 34 Rdmodfacs> Frequence du vecteur en lecture: 364.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 35 Rdmodfacs> Frequence du vecteur en lecture: 387.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 36 Rdmodfacs> Frequence du vecteur en lecture: 398.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 37 Rdmodfacs> Frequence du vecteur en lecture: 404.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 38 Rdmodfacs> Frequence du vecteur en lecture: 417.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 39 Rdmodfacs> Frequence du vecteur en lecture: 419.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 40 Rdmodfacs> Frequence du vecteur en lecture: 429.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 41 Rdmodfacs> Frequence du vecteur en lecture: 439.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 42 Rdmodfacs> Frequence du vecteur en lecture: 469.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 43 Rdmodfacs> Frequence du vecteur en lecture: 474.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 44 Rdmodfacs> Frequence du vecteur en lecture: 475.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 45 Rdmodfacs> Frequence du vecteur en lecture: 482.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 46 Rdmodfacs> Frequence du vecteur en lecture: 499.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 47 Rdmodfacs> Frequence du vecteur en lecture: 504.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 48 Rdmodfacs> Frequence du vecteur en lecture: 518.0 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: 527.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 51 Rdmodfacs> Frequence du vecteur en lecture: 538.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 52 Rdmodfacs> Frequence du vecteur en lecture: 552.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 53 Rdmodfacs> Frequence du vecteur en lecture: 557.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 54 Rdmodfacs> Frequence du vecteur en lecture: 564.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 55 Rdmodfacs> Frequence du vecteur en lecture: 572.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 56 Rdmodfacs> Frequence du vecteur en lecture: 581.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 57 Rdmodfacs> Frequence du vecteur en lecture: 589.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 58 Rdmodfacs> Frequence du vecteur en lecture: 597.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 59 Rdmodfacs> Frequence du vecteur en lecture: 605.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 60 Rdmodfacs> Frequence du vecteur en lecture: 613.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 61 Rdmodfacs> Frequence du vecteur en lecture: 616.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 62 Rdmodfacs> Frequence du vecteur en lecture: 625.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 63 Rdmodfacs> Frequence du vecteur en lecture: 634.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 64 Rdmodfacs> Frequence du vecteur en lecture: 638.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 65 Rdmodfacs> Frequence du vecteur en lecture: 642.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 66 Rdmodfacs> Frequence du vecteur en lecture: 647.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 67 Rdmodfacs> Frequence du vecteur en lecture: 663.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 68 Rdmodfacs> Frequence du vecteur en lecture: 675.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 69 Rdmodfacs> Frequence du vecteur en lecture: 678.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 70 Rdmodfacs> Frequence du vecteur en lecture: 687.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 71 Rdmodfacs> Frequence du vecteur en lecture: 696.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 72 Rdmodfacs> Frequence du vecteur en lecture: 709.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 73 Rdmodfacs> Frequence du vecteur en lecture: 710.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 74 Rdmodfacs> Frequence du vecteur en lecture: 715.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 75 Rdmodfacs> Frequence du vecteur en lecture: 726.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 76 Rdmodfacs> Frequence du vecteur en lecture: 733.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 77 Rdmodfacs> Frequence du vecteur en lecture: 747.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 78 Rdmodfacs> Frequence du vecteur en lecture: 747.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 79 Rdmodfacs> Frequence du vecteur en lecture: 755.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 80 Rdmodfacs> Frequence du vecteur en lecture: 767.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 81 Rdmodfacs> Frequence du vecteur en lecture: 772.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 82 Rdmodfacs> Frequence du vecteur en lecture: 777.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 83 Rdmodfacs> Frequence du vecteur en lecture: 789.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 84 Rdmodfacs> Frequence du vecteur en lecture: 793.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 85 Rdmodfacs> Frequence du vecteur en lecture: 803.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 86 Rdmodfacs> Frequence du vecteur en lecture: 808.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 87 Rdmodfacs> Frequence du vecteur en lecture: 818.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 88 Rdmodfacs> Frequence du vecteur en lecture: 821.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 89 Rdmodfacs> Frequence du vecteur en lecture: 825.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 90 Rdmodfacs> Frequence du vecteur en lecture: 836.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 91 Rdmodfacs> Frequence du vecteur en lecture: 841.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 92 Rdmodfacs> Frequence du vecteur en lecture: 849.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 93 Rdmodfacs> Frequence du vecteur en lecture: 854.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 94 Rdmodfacs> Frequence du vecteur en lecture: 865.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 95 Rdmodfacs> Frequence du vecteur en lecture: 867.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 96 Rdmodfacs> Frequence du vecteur en lecture: 871.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 97 Rdmodfacs> Frequence du vecteur en lecture: 873.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 98 Rdmodfacs> Frequence du vecteur en lecture: 887.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 99 Rdmodfacs> Frequence du vecteur en lecture: 891.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 100 Rdmodfacs> Frequence du vecteur en lecture: 894.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 101 Rdmodfacs> Frequence du vecteur en lecture: 896.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 102 Rdmodfacs> Frequence du vecteur en lecture: 901.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 103 Rdmodfacs> Frequence du vecteur en lecture: 904.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 104 Rdmodfacs> Frequence du vecteur en lecture: 917.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 105 Rdmodfacs> Frequence du vecteur en lecture: 921.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 106 Rdmodfacs> Frequence du vecteur en lecture: 929.7 Chkmod> 106 vectors, 28902 coordinates in file. Chkmod> That is: 9634 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 12 is: 0.9999 (instead of 1.0000). %Chkmod-Wn> Norm of vector 73 is: 0.9999 (instead of 1.0000). Chkmod> Normal end. 0.0034 0.9506 0.0034 0.6259 0.0034 0.7947 0.0034 0.7487 0.0034 0.6740 0.0034 0.6518 35.8172 0.0310 42.2373 0.0311 77.1424 0.0665 98.7841 0.0794 118.9508 0.1703 123.0915 0.0409 136.4050 0.0642 142.9885 0.0969 146.9335 0.0798 158.9970 0.0325 162.9162 0.1029 190.0112 0.0416 228.7806 0.3779 232.2588 0.3561 261.3310 0.2178 270.5313 0.2125 277.6721 0.1810 281.7610 0.2709 284.4474 0.1753 293.8871 0.1929 297.3769 0.1765 307.8198 0.1236 321.7173 0.2492 324.7087 0.2782 334.0166 0.2534 345.7766 0.2286 350.5181 0.1993 364.2109 0.3600 386.9711 0.1389 398.0854 0.3509 404.4035 0.3414 417.3178 0.2223 419.4315 0.1447 429.8443 0.2412 439.4744 0.0883 469.1901 0.3522 474.1896 0.2966 475.8031 0.2141 482.8141 0.2519 499.4988 0.3828 504.3148 0.4396 518.0394 0.2213 520.9899 0.3950 526.9533 0.1506 538.9008 0.4913 551.9794 0.4137 556.9767 0.4840 564.0240 0.4151 572.8399 0.4056 581.6235 0.5205 589.2767 0.3655 597.8189 0.1187 605.7542 0.2500 613.2025 0.4413 616.2714 0.2414 625.1049 0.3916 634.3731 0.4058 638.7261 0.3511 642.5911 0.3203 647.4354 0.4834 663.2683 0.4138 675.8595 0.4438 678.4714 0.3730 687.8777 0.4230 696.3109 0.4497 709.2299 0.4135 710.5587 0.1072 715.7668 0.3730 726.3144 0.3192 733.5030 0.3972 747.3574 0.3379 747.8305 0.2971 755.3608 0.3581 767.3631 0.2216 771.9590 0.3144 777.7416 0.3297 789.1049 0.5523 793.4263 0.4110 803.6883 0.3892 808.2965 0.1907 818.8762 0.4565 821.1768 0.4444 825.1875 0.4563 836.3996 0.4749 840.9688 0.2618 849.1313 0.2591 854.4607 0.2441 865.8385 0.4041 867.0633 0.0898 871.2011 0.3455 873.8362 0.2310 887.2936 0.3953 891.2713 0.4854 894.6384 0.1621 896.8105 0.4292 901.5966 0.2078 904.9254 0.3157 917.2845 0.4993 921.3247 0.2952 929.6696 0.4370 getting mode 7 running: ../../bin/get_modes.sh 2607192210472627078 7 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 7 calculating perturbed structure for DQ=-100 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-80 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-60 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-40 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-20 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=0 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=20 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=40 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=60 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=80 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=100 2607192210472627078.eigenfacs 2607192210472627078.atom making animated gifs 11 models are in 2607192210472627078.7.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 2607192210472627078.7.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 2607192210472627078.7.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 2607192210472627078 8 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 8 calculating perturbed structure for DQ=-100 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-80 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-60 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-40 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-20 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=0 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=20 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=40 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=60 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=80 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=100 2607192210472627078.eigenfacs 2607192210472627078.atom making animated gifs 11 models are in 2607192210472627078.8.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 2607192210472627078.8.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 2607192210472627078.8.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 2607192210472627078 9 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 9 calculating perturbed structure for DQ=-100 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-80 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-60 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-40 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-20 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=0 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=20 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=40 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=60 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=80 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=100 2607192210472627078.eigenfacs 2607192210472627078.atom making animated gifs 11 models are in 2607192210472627078.9.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 2607192210472627078.9.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 2607192210472627078.9.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 2607192210472627078 10 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 10 calculating perturbed structure for DQ=-100 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-80 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-60 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-40 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-20 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=0 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=20 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=40 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=60 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=80 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=100 2607192210472627078.eigenfacs 2607192210472627078.atom making animated gifs 11 models are in 2607192210472627078.10.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 2607192210472627078.10.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 2607192210472627078.10.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 2607192210472627078 11 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 11 calculating perturbed structure for DQ=-100 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-80 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-60 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-40 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-20 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=0 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=20 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=40 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=60 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=80 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=100 2607192210472627078.eigenfacs 2607192210472627078.atom making animated gifs 11 models are in 2607192210472627078.11.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 2607192210472627078.11.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 2607192210472627078.11.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 2607192210472627078 12 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 12 calculating perturbed structure for DQ=-100 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-80 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-60 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-40 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-20 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=0 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=20 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=40 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=60 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=80 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=100 2607192210472627078.eigenfacs 2607192210472627078.atom making animated gifs 11 models are in 2607192210472627078.12.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 2607192210472627078.12.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 2607192210472627078.12.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 2607192210472627078 13 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 13 calculating perturbed structure for DQ=-100 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-80 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-60 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-40 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-20 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=0 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=20 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=40 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=60 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=80 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=100 2607192210472627078.eigenfacs 2607192210472627078.atom making animated gifs 11 models are in 2607192210472627078.13.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 2607192210472627078.13.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 2607192210472627078.13.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 2607192210472627078 14 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 14 calculating perturbed structure for DQ=-100 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-80 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-60 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-40 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-20 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=0 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=20 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=40 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=60 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=80 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=100 2607192210472627078.eigenfacs 2607192210472627078.atom making animated gifs 11 models are in 2607192210472627078.14.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 2607192210472627078.14.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 2607192210472627078.14.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 2607192210472627078 15 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 15 calculating perturbed structure for DQ=-100 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-80 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-60 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-40 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-20 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=0 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=20 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=40 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=60 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=80 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=100 2607192210472627078.eigenfacs 2607192210472627078.atom making animated gifs 11 models are in 2607192210472627078.15.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 2607192210472627078.15.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 2607192210472627078.15.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 2607192210472627078 16 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 16 calculating perturbed structure for DQ=-100 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-80 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-60 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-40 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-20 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=0 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=20 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=40 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=60 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=80 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=100 2607192210472627078.eigenfacs 2607192210472627078.atom making animated gifs 11 models are in 2607192210472627078.16.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 2607192210472627078.16.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 2607192210472627078.16.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 2607192210472627078 17 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 17 calculating perturbed structure for DQ=-100 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-80 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-60 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-40 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-20 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=0 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=20 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=40 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=60 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=80 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=100 2607192210472627078.eigenfacs 2607192210472627078.atom making animated gifs 11 models are in 2607192210472627078.17.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 2607192210472627078.17.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 2607192210472627078.17.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 2607192210472627078 18 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 18 calculating perturbed structure for DQ=-100 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-80 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-60 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-40 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-20 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=0 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=20 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=40 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=60 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=80 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=100 2607192210472627078.eigenfacs 2607192210472627078.atom making animated gifs 11 models are in 2607192210472627078.18.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 2607192210472627078.18.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 2607192210472627078.18.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 2607192210472627078 19 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 19 calculating perturbed structure for DQ=-100 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-80 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-60 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-40 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-20 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=0 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=20 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=40 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=60 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=80 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=100 2607192210472627078.eigenfacs 2607192210472627078.atom making animated gifs 11 models are in 2607192210472627078.19.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 2607192210472627078.19.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 2607192210472627078.19.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 2607192210472627078 20 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 20 calculating perturbed structure for DQ=-100 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-80 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-60 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-40 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-20 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=0 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=20 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=40 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=60 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=80 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=100 2607192210472627078.eigenfacs 2607192210472627078.atom making animated gifs 11 models are in 2607192210472627078.20.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 2607192210472627078.20.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 2607192210472627078.20.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 2607192210472627078 21 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 21 calculating perturbed structure for DQ=-100 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-80 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-60 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-40 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-20 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=0 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=20 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=40 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=60 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=80 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=100 2607192210472627078.eigenfacs 2607192210472627078.atom making animated gifs 11 models are in 2607192210472627078.21.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 2607192210472627078.21.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 2607192210472627078.21.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 2607192210472627078 22 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 22 calculating perturbed structure for DQ=-100 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-80 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-60 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-40 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-20 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=0 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=20 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=40 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=60 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=80 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=100 2607192210472627078.eigenfacs 2607192210472627078.atom making animated gifs 11 models are in 2607192210472627078.22.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 2607192210472627078.22.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 2607192210472627078.22.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 2607192210472627078 23 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 23 calculating perturbed structure for DQ=-100 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-80 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-60 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-40 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-20 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=0 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=20 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=40 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=60 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=80 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=100 2607192210472627078.eigenfacs 2607192210472627078.atom making animated gifs 11 models are in 2607192210472627078.23.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 2607192210472627078.23.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 2607192210472627078.23.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 2607192210472627078 24 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 24 calculating perturbed structure for DQ=-100 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-80 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-60 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-40 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-20 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=0 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=20 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=40 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=60 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=80 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=100 2607192210472627078.eigenfacs 2607192210472627078.atom making animated gifs 11 models are in 2607192210472627078.24.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 2607192210472627078.24.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 2607192210472627078.24.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 2607192210472627078 25 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 25 calculating perturbed structure for DQ=-100 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-80 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-60 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-40 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-20 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=0 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=20 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=40 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=60 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=80 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=100 2607192210472627078.eigenfacs 2607192210472627078.atom making animated gifs 11 models are in 2607192210472627078.25.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 2607192210472627078.25.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 2607192210472627078.25.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 2607192210472627078 26 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 26 calculating perturbed structure for DQ=-100 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-80 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-60 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-40 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-20 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=0 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=20 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=40 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=60 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=80 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=100 2607192210472627078.eigenfacs 2607192210472627078.atom making animated gifs 11 models are in 2607192210472627078.26.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 2607192210472627078.26.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 2607192210472627078.26.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 2607192210472627078 27 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 27 calculating perturbed structure for DQ=-100 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-80 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-60 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-40 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-20 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=0 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=20 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=40 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=60 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=80 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=100 2607192210472627078.eigenfacs 2607192210472627078.atom making animated gifs 11 models are in 2607192210472627078.27.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 2607192210472627078.27.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 2607192210472627078.27.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 2607192210472627078 28 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 28 calculating perturbed structure for DQ=-100 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-80 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-60 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-40 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-20 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=0 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=20 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=40 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=60 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=80 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=100 2607192210472627078.eigenfacs 2607192210472627078.atom making animated gifs 11 models are in 2607192210472627078.28.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 2607192210472627078.28.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 2607192210472627078.28.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 2607192210472627078 29 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 29 calculating perturbed structure for DQ=-100 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-80 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-60 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-40 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-20 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=0 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=20 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=40 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=60 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=80 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=100 2607192210472627078.eigenfacs 2607192210472627078.atom making animated gifs 11 models are in 2607192210472627078.29.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 2607192210472627078.29.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 2607192210472627078.29.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 2607192210472627078 30 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 30 calculating perturbed structure for DQ=-100 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-80 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-60 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-40 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-20 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=0 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=20 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=40 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=60 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=80 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=100 2607192210472627078.eigenfacs 2607192210472627078.atom making animated gifs 11 models are in 2607192210472627078.30.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 2607192210472627078.30.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 2607192210472627078.30.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 2607192210472627078 31 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 31 calculating perturbed structure for DQ=-100 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-80 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-60 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-40 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=-20 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=0 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=20 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=40 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=60 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=80 2607192210472627078.eigenfacs 2607192210472627078.atom calculating perturbed structure for DQ=100 2607192210472627078.eigenfacs 2607192210472627078.atom making animated gifs 11 models are in 2607192210472627078.31.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 2607192210472627078.31.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 2607192210472627078.31.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 2607192210472627078.10.pdb 2607192210472627078.11.pdb 2607192210472627078.12.pdb 2607192210472627078.13.pdb 2607192210472627078.14.pdb 2607192210472627078.15.pdb 2607192210472627078.16.pdb 2607192210472627078.17.pdb 2607192210472627078.18.pdb 2607192210472627078.19.pdb 2607192210472627078.20.pdb 2607192210472627078.21.pdb 2607192210472627078.22.pdb 2607192210472627078.23.pdb 2607192210472627078.24.pdb 2607192210472627078.25.pdb 2607192210472627078.26.pdb 2607192210472627078.27.pdb 2607192210472627078.28.pdb 2607192210472627078.29.pdb 2607192210472627078.30.pdb 2607192210472627078.31.pdb 2607192210472627078.7.pdb 2607192210472627078.8.pdb 2607192210472627078.9.pdb STDERR: Note: The following floating-point exceptions are signalling: IEEE_DENORMAL real 0m54.940s user 0m54.382s sys 0m0.533s rm: cannot remove '2607192210472627078.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 format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw 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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ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format 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.