CNRS Nantes University US2B US2B
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LOGs for ID: 240531115742101615

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 = 240531115742101615.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 240531115742101615.atom to be opened. Openam> File opened: 240531115742101615.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 = 214 First residue number = 939 Last residue number = 1152 Number of atoms found = 3406 Mean number per residue = 15.9 Pdbmat> Coordinate statistics: = 50.386890 +/- 10.330421 From: 22.456000 To: 78.947000 = 43.436655 +/- 9.412261 From: 18.753000 To: 64.305000 = 41.093080 +/- 8.843608 From: 18.287000 To: 64.214000 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> 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> 6 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 4.5846 % Filled. Pdbmat> 2393576 non-zero elements. Pdbmat> 263720 atom-atom interactions. Pdbmat> Number per atom= 154.86 +/- 50.34 Maximum number = 246 Minimum number = 21 Pdbmat> Matrix trace = 5.274400E+06 Pdbmat> Larger element = 852.207 Pdbmat> 0 elements larger than +/- 1.0E+10 Pdbmat> Normal end. automatic determination of NRBL (NRBL = nresidues/200 + 1) 214 non-zero elements, NRBL set to 2 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 = 240531115742101615.atom Eigenvector OUTPut file = matrix.eigenrtb Nb of VECTors required = 106 EigeNVALues chosen = LOWE Type of SUBStructuring = NONE Nb of residues per BLOck = 2 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 240531115742101615.atom to be opened. Openam> file on opening on unit 11: 240531115742101615.atom Blocpdb> Coordinate file in PDB format. Blocpdb> 3406 atoms picked in pdb file. Blocpdb> All masses set to unity. Blocpdb> Coordinate file is rewritten. Blocpdb> Substructuring: Blocpdb> 2 residue(s) per block. Blocpdb> 214 residues. Blocpdb> 44 atoms in block 1 Block first atom: 1 Blocpdb> 44 atoms in block 2 Block first atom: 45 Blocpdb> 34 atoms in block 3 Block first atom: 89 Blocpdb> 33 atoms in block 4 Block first atom: 123 Blocpdb> 31 atoms in block 5 Block first atom: 156 Blocpdb> 36 atoms in block 6 Block first atom: 187 Blocpdb> 21 atoms in block 7 Block first atom: 223 Blocpdb> 28 atoms in block 8 Block first atom: 244 Blocpdb> 26 atoms in block 9 Block first atom: 272 Blocpdb> 28 atoms in block 10 Block first atom: 298 Blocpdb> 40 atoms in block 11 Block first atom: 326 Blocpdb> 40 atoms in block 12 Block first atom: 366 Blocpdb> 34 atoms in block 13 Block first atom: 406 Blocpdb> 29 atoms in block 14 Block first atom: 440 Blocpdb> 34 atoms in block 15 Block first atom: 469 Blocpdb> 33 atoms in block 16 Block first atom: 503 Blocpdb> 30 atoms in block 17 Block first atom: 536 Blocpdb> 25 atoms in block 18 Block first atom: 566 Blocpdb> 26 atoms in block 19 Block first atom: 591 Blocpdb> 26 atoms in block 20 Block first atom: 617 Blocpdb> 26 atoms in block 21 Block first atom: 643 Blocpdb> 28 atoms in block 22 Block first atom: 669 Blocpdb> 27 atoms in block 23 Block first atom: 697 Blocpdb> 34 atoms in block 24 Block first atom: 724 Blocpdb> 26 atoms in block 25 Block first atom: 758 Blocpdb> 32 atoms in block 26 Block first atom: 784 Blocpdb> 18 atoms in block 27 Block first atom: 816 Blocpdb> 34 atoms in block 28 Block first atom: 834 Blocpdb> 39 atoms in block 29 Block first atom: 868 Blocpdb> 28 atoms in block 30 Block first atom: 907 Blocpdb> 39 atoms in block 31 Block first atom: 935 Blocpdb> 24 atoms in block 32 Block first atom: 974 Blocpdb> 33 atoms in block 33 Block first atom: 998 Blocpdb> 17 atoms in block 34 Block first atom: 1031 Blocpdb> 36 atoms in block 35 Block first atom: 1048 Blocpdb> 27 atoms in block 36 Block first atom: 1084 Blocpdb> 38 atoms in block 37 Block first atom: 1111 Blocpdb> 22 atoms in block 38 Block first atom: 1149 Blocpdb> 35 atoms in block 39 Block first atom: 1171 Blocpdb> 41 atoms in block 40 Block first atom: 1206 Blocpdb> 32 atoms in block 41 Block first atom: 1247 Blocpdb> 41 atoms in block 42 Block first atom: 1279 Blocpdb> 39 atoms in block 43 Block first atom: 1320 Blocpdb> 30 atoms in block 44 Block first atom: 1359 Blocpdb> 28 atoms in block 45 Block first atom: 1389 Blocpdb> 45 atoms in block 46 Block first atom: 1417 Blocpdb> 26 atoms in block 47 Block first atom: 1462 Blocpdb> 28 atoms in block 48 Block first atom: 1488 Blocpdb> 38 atoms in block 49 Block first atom: 1516 Blocpdb> 27 atoms in block 50 Block first atom: 1554 Blocpdb> 28 atoms in block 51 Block first atom: 1581 Blocpdb> 18 atoms in block 52 Block first atom: 1609 Blocpdb> 30 atoms in block 53 Block first atom: 1627 Blocpdb> 38 atoms in block 54 Block first atom: 1657 Blocpdb> 32 atoms in block 55 Block first atom: 1695 Blocpdb> 24 atoms in block 56 Block first atom: 1727 Blocpdb> 28 atoms in block 57 Block first atom: 1751 Blocpdb> 21 atoms in block 58 Block first atom: 1779 Blocpdb> 22 atoms in block 59 Block first atom: 1800 Blocpdb> 36 atoms in block 60 Block first atom: 1822 Blocpdb> 38 atoms in block 61 Block first atom: 1858 Blocpdb> 29 atoms in block 62 Block first atom: 1896 Blocpdb> 41 atoms in block 63 Block first atom: 1925 Blocpdb> 21 atoms in block 64 Block first atom: 1966 Blocpdb> 28 atoms in block 65 Block first atom: 1987 Blocpdb> 21 atoms in block 66 Block first atom: 2015 Blocpdb> 33 atoms in block 67 Block first atom: 2036 Blocpdb> 38 atoms in block 68 Block first atom: 2069 Blocpdb> 43 atoms in block 69 Block first atom: 2107 Blocpdb> 29 atoms in block 70 Block first atom: 2150 Blocpdb> 38 atoms in block 71 Block first atom: 2179 Blocpdb> 36 atoms in block 72 Block first atom: 2217 Blocpdb> 31 atoms in block 73 Block first atom: 2253 Blocpdb> 34 atoms in block 74 Block first atom: 2284 Blocpdb> 34 atoms in block 75 Block first atom: 2318 Blocpdb> 31 atoms in block 76 Block first atom: 2352 Blocpdb> 48 atoms in block 77 Block first atom: 2383 Blocpdb> 43 atoms in block 78 Block first atom: 2431 Blocpdb> 28 atoms in block 79 Block first atom: 2474 Blocpdb> 38 atoms in block 80 Block first atom: 2502 Blocpdb> 36 atoms in block 81 Block first atom: 2540 Blocpdb> 27 atoms in block 82 Block first atom: 2576 Blocpdb> 43 atoms in block 83 Block first atom: 2603 Blocpdb> 32 atoms in block 84 Block first atom: 2646 Blocpdb> 38 atoms in block 85 Block first atom: 2678 Blocpdb> 22 atoms in block 86 Block first atom: 2716 Blocpdb> 44 atoms in block 87 Block first atom: 2738 Blocpdb> 36 atoms in block 88 Block first atom: 2782 Blocpdb> 22 atoms in block 89 Block first atom: 2818 Blocpdb> 18 atoms in block 90 Block first atom: 2840 Blocpdb> 33 atoms in block 91 Block first atom: 2858 Blocpdb> 33 atoms in block 92 Block first atom: 2891 Blocpdb> 36 atoms in block 93 Block first atom: 2924 Blocpdb> 31 atoms in block 94 Block first atom: 2960 Blocpdb> 14 atoms in block 95 Block first atom: 2991 Blocpdb> 43 atoms in block 96 Block first atom: 3005 Blocpdb> 26 atoms in block 97 Block first atom: 3048 Blocpdb> 36 atoms in block 98 Block first atom: 3074 Blocpdb> 31 atoms in block 99 Block first atom: 3110 Blocpdb> 32 atoms in block 100 Block first atom: 3141 Blocpdb> 33 atoms in block 101 Block first atom: 3173 Blocpdb> 40 atoms in block 102 Block first atom: 3206 Blocpdb> 23 atoms in block 103 Block first atom: 3246 Blocpdb> 41 atoms in block 104 Block first atom: 3269 Blocpdb> 36 atoms in block 105 Block first atom: 3310 Blocpdb> 34 atoms in block 106 Block first atom: 3346 Blocpdb> 27 atoms in block 107 Block first atom: 3379 Blocpdb> 107 blocks. Blocpdb> At most, 48 atoms in each of them. Blocpdb> At least, 14 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> 2393683 matrix lines read. Prepmat> Matrix order = 10218 Prepmat> Matrix trace = 5274400.0000 Prepmat> Last element read: 10218 10218 201.0156 Prepmat> 5779 lines saved. Prepmat> 4440 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: 3406 RTB> Total mass = 3406.0000 RTB> Number of atoms found in matrix: 3406 RTB> Number of blocks = 107 RTB> Projection begins. RTB> Projected matrix is being saved. RTB> Projected matrix trace = 279309.4507 RTB> 46563 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 = 642 Diagstd> Nb of non-zero elements: 46563 Diagstd> Projected matrix trace = 279309.4507 Openam> file on opening on unit 11: diagrtb_work.eigenfacs Diagstd> Diagonalization. Diagstd> 642 eigenvectors are computed. Diagstd> 106 of them to be saved. Diagstd> Sum of eigenvalues = 279309.4507 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 9.1033079 9.7223859 16.8105187 17.7153494 18.5970836 19.6478461 20.6701041 24.1136218 25.7833990 26.6480934 28.1274443 29.5125987 30.6011999 35.0156397 36.7644176 38.3206383 41.9868366 45.0553150 46.3061408 48.0796059 50.2857462 51.5462848 53.1355875 54.7771314 55.8367216 57.2657569 59.9718575 61.3828625 64.2638066 65.9560113 68.9275683 70.1432950 71.5088730 73.5947053 74.4780993 77.6958891 78.6153797 81.1999582 82.7737063 83.7834248 85.7753177 86.9870505 89.8538528 91.6902422 94.4474225 96.1751320 97.3208982 98.1217578 99.7686789 102.0343287 103.9628714 105.3717234 106.6678504 109.1267825 110.4528936 112.2998989 113.4578554 114.4104719 116.9048944 119.5441181 120.7592321 123.8846527 124.4506140 128.7029303 129.7959829 130.4660477 131.6272754 134.5561760 135.2527294 137.4742476 138.9593458 139.7471600 141.3655031 142.7951329 144.2398907 145.4093878 146.3142672 148.8516755 149.3115942 153.4224777 154.2388338 155.1159352 156.3250411 159.3562989 160.5679905 161.6420189 163.5501900 166.2969279 169.0355603 170.0657382 172.5295741 173.9020781 175.0699152 175.9402833 177.9175887 180.8396016 183.3260845 185.5049711 187.4512213 187.6177649 Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units): 0.0034283 0.0034320 0.0034337 0.0034343 0.0034344 0.0034363 327.6384747 338.5959100 445.2314530 457.0567649 468.2930385 481.3408877 493.7039620 533.2446453 551.3982266 560.5680624 575.9176880 589.9279958 600.7095106 642.5786807 658.4292651 672.2203374 703.6421675 728.9005793 738.9491846 752.9666309 770.0478801 779.6397343 791.5676256 803.7017667 811.4378015 821.7558089 840.9477840 850.7830893 870.5194997 881.9063550 901.5540297 909.4699661 918.2802568 931.5765879 937.1509995 957.1815101 962.8287248 978.5278328 987.9648222 993.9724216 1005.7185207 1012.7974122 1029.3513348 1039.8168245 1055.3349848 1064.9437665 1071.2684990 1075.6672350 1084.6569190 1096.9035348 1107.2212528 1114.6982566 1121.5329873 1134.3862549 1141.2579850 1150.7605440 1156.6782399 1161.5239491 1174.1176784 1187.2970441 1193.3159668 1208.6596784 1211.4173853 1231.9398329 1237.1601029 1240.3493786 1245.8570845 1259.6419004 1262.8980689 1273.2273412 1280.0860381 1283.7095603 1291.1211689 1297.6333026 1304.1813112 1309.4577888 1313.5258333 1324.8665769 1326.9117704 1345.0541732 1348.6279208 1352.4570687 1357.7179386 1370.8183130 1376.0200636 1380.6144460 1388.7395589 1400.3525723 1411.8362188 1416.1318630 1426.3531166 1432.0153264 1436.8156210 1440.3827903 1448.4540493 1460.2998850 1470.3049238 1479.0166273 1486.7550334 1487.4153505 Diagstd> Normal end. Rtb_to_modes> Entering in. Rtb_to_modes> Number of atoms in temporary block-file = 3406 Rtb_to_modes> Number of blocs = 107 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: 9.9672E-10 Rdmodfacs> Eigenvector number: 2 Rdmodfacs> Corresponding eigenvalue: 9.9884E-10 Rdmodfacs> Eigenvector number: 3 Rdmodfacs> Corresponding eigenvalue: 9.9983E-10 Rdmodfacs> Eigenvector number: 4 Rdmodfacs> Corresponding eigenvalue: 1.0002E-09 Rdmodfacs> Eigenvector number: 5 Rdmodfacs> Corresponding eigenvalue: 1.0003E-09 Rdmodfacs> Eigenvector number: 6 Rdmodfacs> Corresponding eigenvalue: 1.0014E-09 Rdmodfacs> Eigenvector number: 7 Rdmodfacs> Corresponding eigenvalue: 9.103 Rdmodfacs> Eigenvector number: 8 Rdmodfacs> Corresponding eigenvalue: 9.722 Rdmodfacs> Eigenvector number: 9 Rdmodfacs> Corresponding eigenvalue: 16.81 Rdmodfacs> Eigenvector number: 10 Rdmodfacs> Corresponding eigenvalue: 17.72 Rdmodfacs> Eigenvector number: 11 Rdmodfacs> Corresponding eigenvalue: 18.60 Rdmodfacs> Eigenvector number: 12 Rdmodfacs> Corresponding eigenvalue: 19.65 Rdmodfacs> Eigenvector number: 13 Rdmodfacs> Corresponding eigenvalue: 20.67 Rdmodfacs> Eigenvector number: 14 Rdmodfacs> Corresponding eigenvalue: 24.11 Rdmodfacs> Eigenvector number: 15 Rdmodfacs> Corresponding eigenvalue: 25.78 Rdmodfacs> Eigenvector number: 16 Rdmodfacs> Corresponding eigenvalue: 26.65 Rdmodfacs> Eigenvector number: 17 Rdmodfacs> Corresponding eigenvalue: 28.13 Rdmodfacs> Eigenvector number: 18 Rdmodfacs> Corresponding eigenvalue: 29.51 Rdmodfacs> Eigenvector number: 19 Rdmodfacs> Corresponding eigenvalue: 30.60 Rdmodfacs> Eigenvector number: 20 Rdmodfacs> Corresponding eigenvalue: 35.02 Rdmodfacs> Eigenvector number: 21 Rdmodfacs> Corresponding eigenvalue: 36.76 Rdmodfacs> Eigenvector number: 22 Rdmodfacs> Corresponding eigenvalue: 38.32 Rdmodfacs> Eigenvector number: 23 Rdmodfacs> Corresponding eigenvalue: 41.99 Rdmodfacs> Eigenvector number: 24 Rdmodfacs> Corresponding eigenvalue: 45.06 Rdmodfacs> Eigenvector number: 25 Rdmodfacs> Corresponding eigenvalue: 46.31 Rdmodfacs> Eigenvector number: 26 Rdmodfacs> Corresponding eigenvalue: 48.08 Rdmodfacs> Eigenvector number: 27 Rdmodfacs> Corresponding eigenvalue: 50.29 Rdmodfacs> Eigenvector number: 28 Rdmodfacs> Corresponding eigenvalue: 51.55 Rdmodfacs> Eigenvector number: 29 Rdmodfacs> Corresponding eigenvalue: 53.14 Rdmodfacs> Eigenvector number: 30 Rdmodfacs> Corresponding eigenvalue: 54.78 Rdmodfacs> Eigenvector number: 31 Rdmodfacs> Corresponding eigenvalue: 55.84 Rdmodfacs> Eigenvector number: 32 Rdmodfacs> Corresponding eigenvalue: 57.27 Rdmodfacs> Eigenvector number: 33 Rdmodfacs> Corresponding eigenvalue: 59.97 Rdmodfacs> Eigenvector number: 34 Rdmodfacs> Corresponding eigenvalue: 61.38 Rdmodfacs> Eigenvector number: 35 Rdmodfacs> Corresponding eigenvalue: 64.26 Rdmodfacs> Eigenvector number: 36 Rdmodfacs> Corresponding eigenvalue: 65.96 Rdmodfacs> Eigenvector number: 37 Rdmodfacs> Corresponding eigenvalue: 68.93 Rdmodfacs> Eigenvector number: 38 Rdmodfacs> Corresponding eigenvalue: 70.14 Rdmodfacs> Eigenvector number: 39 Rdmodfacs> Corresponding eigenvalue: 71.51 Rdmodfacs> Eigenvector number: 40 Rdmodfacs> Corresponding eigenvalue: 73.59 Rdmodfacs> Eigenvector number: 41 Rdmodfacs> Corresponding eigenvalue: 74.48 Rdmodfacs> Eigenvector number: 42 Rdmodfacs> Corresponding eigenvalue: 77.70 Rdmodfacs> Eigenvector number: 43 Rdmodfacs> Corresponding eigenvalue: 78.62 Rdmodfacs> Eigenvector number: 44 Rdmodfacs> Corresponding eigenvalue: 81.20 Rdmodfacs> Eigenvector number: 45 Rdmodfacs> Corresponding eigenvalue: 82.77 Rdmodfacs> Eigenvector number: 46 Rdmodfacs> Corresponding eigenvalue: 83.78 Rdmodfacs> Eigenvector number: 47 Rdmodfacs> Corresponding eigenvalue: 85.78 Rdmodfacs> Eigenvector number: 48 Rdmodfacs> Corresponding eigenvalue: 86.99 Rdmodfacs> Eigenvector number: 49 Rdmodfacs> Corresponding eigenvalue: 89.85 Rdmodfacs> Eigenvector number: 50 Rdmodfacs> Corresponding eigenvalue: 91.69 Rdmodfacs> Eigenvector number: 51 Rdmodfacs> Corresponding eigenvalue: 94.45 Rdmodfacs> Eigenvector number: 52 Rdmodfacs> Corresponding eigenvalue: 96.18 Rdmodfacs> Eigenvector number: 53 Rdmodfacs> Corresponding eigenvalue: 97.32 Rdmodfacs> Eigenvector number: 54 Rdmodfacs> Corresponding eigenvalue: 98.12 Rdmodfacs> Eigenvector number: 55 Rdmodfacs> Corresponding eigenvalue: 99.77 Rdmodfacs> Eigenvector number: 56 Rdmodfacs> Corresponding eigenvalue: 102.0 Rdmodfacs> Eigenvector number: 57 Rdmodfacs> Corresponding eigenvalue: 104.0 Rdmodfacs> Eigenvector number: 58 Rdmodfacs> Corresponding eigenvalue: 105.4 Rdmodfacs> Eigenvector number: 59 Rdmodfacs> Corresponding eigenvalue: 106.7 Rdmodfacs> Eigenvector number: 60 Rdmodfacs> Corresponding eigenvalue: 109.1 Rdmodfacs> Eigenvector number: 61 Rdmodfacs> Corresponding eigenvalue: 110.5 Rdmodfacs> Eigenvector number: 62 Rdmodfacs> Corresponding eigenvalue: 112.3 Rdmodfacs> Eigenvector number: 63 Rdmodfacs> Corresponding eigenvalue: 113.5 Rdmodfacs> Eigenvector number: 64 Rdmodfacs> Corresponding eigenvalue: 114.4 Rdmodfacs> Eigenvector number: 65 Rdmodfacs> Corresponding eigenvalue: 116.9 Rdmodfacs> Eigenvector number: 66 Rdmodfacs> Corresponding eigenvalue: 119.5 Rdmodfacs> Eigenvector number: 67 Rdmodfacs> Corresponding eigenvalue: 120.8 Rdmodfacs> Eigenvector number: 68 Rdmodfacs> Corresponding eigenvalue: 123.9 Rdmodfacs> Eigenvector number: 69 Rdmodfacs> Corresponding eigenvalue: 124.5 Rdmodfacs> Eigenvector number: 70 Rdmodfacs> Corresponding eigenvalue: 128.7 Rdmodfacs> Eigenvector number: 71 Rdmodfacs> Corresponding eigenvalue: 129.8 Rdmodfacs> Eigenvector number: 72 Rdmodfacs> Corresponding eigenvalue: 130.5 Rdmodfacs> Eigenvector number: 73 Rdmodfacs> Corresponding eigenvalue: 131.6 Rdmodfacs> Eigenvector number: 74 Rdmodfacs> Corresponding eigenvalue: 134.6 Rdmodfacs> Eigenvector number: 75 Rdmodfacs> Corresponding eigenvalue: 135.3 Rdmodfacs> Eigenvector number: 76 Rdmodfacs> Corresponding eigenvalue: 137.5 Rdmodfacs> Eigenvector number: 77 Rdmodfacs> Corresponding eigenvalue: 139.0 Rdmodfacs> Eigenvector number: 78 Rdmodfacs> Corresponding eigenvalue: 139.7 Rdmodfacs> Eigenvector number: 79 Rdmodfacs> Corresponding eigenvalue: 141.4 Rdmodfacs> Eigenvector number: 80 Rdmodfacs> Corresponding eigenvalue: 142.8 Rdmodfacs> Eigenvector number: 81 Rdmodfacs> Corresponding eigenvalue: 144.2 Rdmodfacs> Eigenvector number: 82 Rdmodfacs> Corresponding eigenvalue: 145.4 Rdmodfacs> Eigenvector number: 83 Rdmodfacs> Corresponding eigenvalue: 146.3 Rdmodfacs> Eigenvector number: 84 Rdmodfacs> Corresponding eigenvalue: 148.9 Rdmodfacs> Eigenvector number: 85 Rdmodfacs> Corresponding eigenvalue: 149.3 Rdmodfacs> Eigenvector number: 86 Rdmodfacs> Corresponding eigenvalue: 153.4 Rdmodfacs> Eigenvector number: 87 Rdmodfacs> Corresponding eigenvalue: 154.2 Rdmodfacs> Eigenvector number: 88 Rdmodfacs> Corresponding eigenvalue: 155.1 Rdmodfacs> Eigenvector number: 89 Rdmodfacs> Corresponding eigenvalue: 156.3 Rdmodfacs> Eigenvector number: 90 Rdmodfacs> Corresponding eigenvalue: 159.4 Rdmodfacs> Eigenvector number: 91 Rdmodfacs> Corresponding eigenvalue: 160.6 Rdmodfacs> Eigenvector number: 92 Rdmodfacs> Corresponding eigenvalue: 161.6 Rdmodfacs> Eigenvector number: 93 Rdmodfacs> Corresponding eigenvalue: 163.6 Rdmodfacs> Eigenvector number: 94 Rdmodfacs> Corresponding eigenvalue: 166.3 Rdmodfacs> Eigenvector number: 95 Rdmodfacs> Corresponding eigenvalue: 169.0 Rdmodfacs> Eigenvector number: 96 Rdmodfacs> Corresponding eigenvalue: 170.1 Rdmodfacs> Eigenvector number: 97 Rdmodfacs> Corresponding eigenvalue: 172.5 Rdmodfacs> Eigenvector number: 98 Rdmodfacs> Corresponding eigenvalue: 173.9 Rdmodfacs> Eigenvector number: 99 Rdmodfacs> Corresponding eigenvalue: 175.1 Rdmodfacs> Eigenvector number: 100 Rdmodfacs> Corresponding eigenvalue: 175.9 Rdmodfacs> Eigenvector number: 101 Rdmodfacs> Corresponding eigenvalue: 177.9 Rdmodfacs> Eigenvector number: 102 Rdmodfacs> Corresponding eigenvalue: 180.8 Rdmodfacs> Eigenvector number: 103 Rdmodfacs> Corresponding eigenvalue: 183.3 Rdmodfacs> Eigenvector number: 104 Rdmodfacs> Corresponding eigenvalue: 185.5 Rdmodfacs> Eigenvector number: 105 Rdmodfacs> Corresponding eigenvalue: 187.5 Rdmodfacs> Eigenvector number: 106 Rdmodfacs> Corresponding eigenvalue: 187.6 Rtb_to_modes> 106 vectors, with 642 coordinates in vector file. Norm of eigenvectors in projected coordinates (one expected): 1.00000 1.00002 0.99999 0.99998 1.00000 0.99999 1.00001 1.00005 0.99997 1.00002 0.99999 1.00001 1.00003 1.00000 1.00002 1.00001 0.99996 1.00000 0.99997 1.00001 1.00001 0.99997 0.99997 1.00002 0.99998 1.00000 1.00001 0.99998 0.99998 1.00002 1.00001 1.00001 0.99999 1.00003 1.00002 1.00001 1.00000 1.00001 1.00000 1.00002 1.00001 1.00000 0.99998 1.00001 1.00002 1.00001 0.99998 0.99998 0.99999 0.99998 1.00001 0.99998 1.00001 0.99999 0.99998 0.99999 1.00000 0.99999 0.99997 1.00002 0.99999 1.00000 0.99999 0.99998 1.00001 0.99996 1.00000 1.00002 0.99997 1.00000 1.00001 1.00002 1.00000 1.00000 0.99998 1.00000 1.00001 1.00000 0.99999 1.00001 1.00000 0.99998 1.00003 1.00001 1.00000 0.99997 0.99998 1.00003 0.99997 0.99999 1.00002 0.99997 1.00000 1.00000 0.99999 0.99998 1.00002 0.99999 1.00000 1.00000 1.00000 1.00000 0.99999 1.00001 1.00001 1.00004 Rtb_to_modes> RTB block-file is being read. Rtb_to_modes> 61308 lines found in RTB file. Norm of eigenvectors in cartesian coordinates (one expected): 1.00000 1.00002 0.99999 0.99998 1.00000 0.99999 1.00001 1.00005 0.99997 1.00002 0.99999 1.00001 1.00003 1.00000 1.00002 1.00001 0.99996 1.00000 0.99997 1.00001 1.00001 0.99997 0.99997 1.00002 0.99998 1.00000 1.00001 0.99998 0.99998 1.00002 1.00001 1.00001 0.99999 1.00003 1.00002 1.00001 1.00000 1.00001 1.00000 1.00002 1.00001 1.00000 0.99998 1.00001 1.00002 1.00001 0.99998 0.99998 0.99999 0.99998 1.00001 0.99998 1.00001 0.99999 0.99998 0.99999 1.00000 0.99999 0.99997 1.00002 0.99999 1.00000 0.99999 0.99998 1.00001 0.99996 1.00000 1.00002 0.99997 1.00000 1.00001 1.00002 1.00000 1.00000 0.99998 1.00000 1.00001 1.00000 0.99999 1.00001 1.00000 0.99998 1.00003 1.00001 1.00000 0.99997 0.99998 1.00003 0.99997 0.99999 1.00002 0.99997 1.00000 1.00000 0.99999 0.99998 1.00002 0.99999 1.00000 1.00000 1.00000 1.00000 0.99999 1.00001 1.00001 1.00004 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> 240531115742101615.eigenfacs Openam> file on opening on unit 10: 240531115742101615.eigenfacs Getnam> Corresponding pdb filename ? Getnam> 240531115742101615.atom Openam> file on opening on unit 11: 240531115742101615.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 = 214 First residue number = 939 Last residue number = 1152 Number of atoms found = 3406 Mean number per residue = 15.9 Rdmodfacs> Old Blzpack file format detected. Rdmodfacs> Numero du vecteur CERFACS en lecture: 1 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9672E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 2 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9884E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 3 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9983E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 4 Rdmodfacs> Valeur propre du vecteur en lecture: 1.0002E-09 Rdmodfacs> Numero du vecteur CERFACS en lecture: 5 Rdmodfacs> Valeur propre du vecteur en lecture: 1.0003E-09 Rdmodfacs> Numero du vecteur CERFACS en lecture: 6 Rdmodfacs> Valeur propre du vecteur en lecture: 1.0014E-09 Rdmodfacs> Numero du vecteur CERFACS en lecture: 7 Rdmodfacs> Valeur propre du vecteur en lecture: 9.103 Rdmodfacs> Numero du vecteur CERFACS en lecture: 8 Rdmodfacs> Valeur propre du vecteur en lecture: 9.722 Rdmodfacs> Numero du vecteur CERFACS en lecture: 9 Rdmodfacs> Valeur propre du vecteur en lecture: 16.81 Rdmodfacs> Numero du vecteur CERFACS en lecture: 10 Rdmodfacs> Valeur propre du vecteur en lecture: 17.72 Rdmodfacs> Numero du vecteur CERFACS en lecture: 11 Rdmodfacs> Valeur propre du vecteur en lecture: 18.60 Rdmodfacs> Numero du vecteur CERFACS en lecture: 12 Rdmodfacs> Valeur propre du vecteur en lecture: 19.65 Rdmodfacs> Numero du vecteur CERFACS en lecture: 13 Rdmodfacs> Valeur propre du vecteur en lecture: 20.67 Rdmodfacs> Numero du vecteur CERFACS en lecture: 14 Rdmodfacs> Valeur propre du vecteur en lecture: 24.11 Rdmodfacs> Numero du vecteur CERFACS en lecture: 15 Rdmodfacs> Valeur propre du vecteur en lecture: 25.78 Rdmodfacs> Numero du vecteur CERFACS en lecture: 16 Rdmodfacs> Valeur propre du vecteur en lecture: 26.65 Rdmodfacs> Numero du vecteur CERFACS en lecture: 17 Rdmodfacs> Valeur propre du vecteur en lecture: 28.13 Rdmodfacs> Numero du vecteur CERFACS en lecture: 18 Rdmodfacs> Valeur propre du vecteur en lecture: 29.51 Rdmodfacs> Numero du vecteur CERFACS en lecture: 19 Rdmodfacs> Valeur propre du vecteur en lecture: 30.60 Rdmodfacs> Numero du vecteur CERFACS en lecture: 20 Rdmodfacs> Valeur propre du vecteur en lecture: 35.02 Rdmodfacs> Numero du vecteur CERFACS en lecture: 21 Rdmodfacs> Valeur propre du vecteur en lecture: 36.76 Rdmodfacs> Numero du vecteur CERFACS en lecture: 22 Rdmodfacs> Valeur propre du vecteur en lecture: 38.32 Rdmodfacs> Numero du vecteur CERFACS en lecture: 23 Rdmodfacs> Valeur propre du vecteur en lecture: 41.99 Rdmodfacs> Numero du vecteur CERFACS en lecture: 24 Rdmodfacs> Valeur propre du vecteur en lecture: 45.06 Rdmodfacs> Numero du vecteur CERFACS en lecture: 25 Rdmodfacs> Valeur propre du vecteur en lecture: 46.31 Rdmodfacs> Numero du vecteur CERFACS en lecture: 26 Rdmodfacs> Valeur propre du vecteur en lecture: 48.08 Rdmodfacs> Numero du vecteur CERFACS en lecture: 27 Rdmodfacs> Valeur propre du vecteur en lecture: 50.29 Rdmodfacs> Numero du vecteur CERFACS en lecture: 28 Rdmodfacs> Valeur propre du vecteur en lecture: 51.55 Rdmodfacs> Numero du vecteur CERFACS en lecture: 29 Rdmodfacs> Valeur propre du vecteur en lecture: 53.14 Rdmodfacs> Numero du vecteur CERFACS en lecture: 30 Rdmodfacs> Valeur propre du vecteur en lecture: 54.78 Rdmodfacs> Numero du vecteur CERFACS en lecture: 31 Rdmodfacs> Valeur propre du vecteur en lecture: 55.84 Rdmodfacs> Numero du vecteur CERFACS en lecture: 32 Rdmodfacs> Valeur propre du vecteur en lecture: 57.27 Rdmodfacs> Numero du vecteur CERFACS en lecture: 33 Rdmodfacs> Valeur propre du vecteur en lecture: 59.97 Rdmodfacs> Numero du vecteur CERFACS en lecture: 34 Rdmodfacs> Valeur propre du vecteur en lecture: 61.38 Rdmodfacs> Numero du vecteur CERFACS en lecture: 35 Rdmodfacs> Valeur propre du vecteur en lecture: 64.26 Rdmodfacs> Numero du vecteur CERFACS en lecture: 36 Rdmodfacs> Valeur propre du vecteur en lecture: 65.96 Rdmodfacs> Numero du vecteur CERFACS en lecture: 37 Rdmodfacs> Valeur propre du vecteur en lecture: 68.93 Rdmodfacs> Numero du vecteur CERFACS en lecture: 38 Rdmodfacs> Valeur propre du vecteur en lecture: 70.14 Rdmodfacs> Numero du vecteur CERFACS en lecture: 39 Rdmodfacs> Valeur propre du vecteur en lecture: 71.51 Rdmodfacs> Numero du vecteur CERFACS en lecture: 40 Rdmodfacs> Valeur propre du vecteur en lecture: 73.59 Rdmodfacs> Numero du vecteur CERFACS en lecture: 41 Rdmodfacs> Valeur propre du vecteur en lecture: 74.48 Rdmodfacs> Numero du vecteur CERFACS en lecture: 42 Rdmodfacs> Valeur propre du vecteur en lecture: 77.70 Rdmodfacs> Numero du vecteur CERFACS en lecture: 43 Rdmodfacs> Valeur propre du vecteur en lecture: 78.62 Rdmodfacs> Numero du vecteur CERFACS en lecture: 44 Rdmodfacs> Valeur propre du vecteur en lecture: 81.20 Rdmodfacs> Numero du vecteur CERFACS en lecture: 45 Rdmodfacs> Valeur propre du vecteur en lecture: 82.77 Rdmodfacs> Numero du vecteur CERFACS en lecture: 46 Rdmodfacs> Valeur propre du vecteur en lecture: 83.78 Rdmodfacs> Numero du vecteur CERFACS en lecture: 47 Rdmodfacs> Valeur propre du vecteur en lecture: 85.78 Rdmodfacs> Numero du vecteur CERFACS en lecture: 48 Rdmodfacs> Valeur propre du vecteur en lecture: 86.99 Rdmodfacs> Numero du vecteur CERFACS en lecture: 49 Rdmodfacs> Valeur propre du vecteur en lecture: 89.85 Rdmodfacs> Numero du vecteur CERFACS en lecture: 50 Rdmodfacs> Valeur propre du vecteur en lecture: 91.69 Rdmodfacs> Numero du vecteur CERFACS en lecture: 51 Rdmodfacs> Valeur propre du vecteur en lecture: 94.45 Rdmodfacs> Numero du vecteur CERFACS en lecture: 52 Rdmodfacs> Valeur propre du vecteur en lecture: 96.18 Rdmodfacs> Numero du vecteur CERFACS en lecture: 53 Rdmodfacs> Valeur propre du vecteur en lecture: 97.32 Rdmodfacs> Numero du vecteur CERFACS en lecture: 54 Rdmodfacs> Valeur propre du vecteur en lecture: 98.12 Rdmodfacs> Numero du vecteur CERFACS en lecture: 55 Rdmodfacs> Valeur propre du vecteur en lecture: 99.77 Rdmodfacs> Numero du vecteur CERFACS en lecture: 56 Rdmodfacs> Valeur propre du vecteur en lecture: 102.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 57 Rdmodfacs> Valeur propre du vecteur en lecture: 104.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 58 Rdmodfacs> Valeur propre du vecteur en lecture: 105.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 59 Rdmodfacs> Valeur propre du vecteur en lecture: 106.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 60 Rdmodfacs> Valeur propre du vecteur en lecture: 109.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 61 Rdmodfacs> Valeur propre du vecteur en lecture: 110.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 62 Rdmodfacs> Valeur propre du vecteur en lecture: 112.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 63 Rdmodfacs> Valeur propre du vecteur en lecture: 113.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 64 Rdmodfacs> Valeur propre du vecteur en lecture: 114.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 65 Rdmodfacs> Valeur propre du vecteur en lecture: 116.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 66 Rdmodfacs> Valeur propre du vecteur en lecture: 119.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 67 Rdmodfacs> Valeur propre du vecteur en lecture: 120.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 68 Rdmodfacs> Valeur propre du vecteur en lecture: 123.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 69 Rdmodfacs> Valeur propre du vecteur en lecture: 124.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 70 Rdmodfacs> Valeur propre du vecteur en lecture: 128.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 71 Rdmodfacs> Valeur propre du vecteur en lecture: 129.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 72 Rdmodfacs> Valeur propre du vecteur en lecture: 130.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 73 Rdmodfacs> Valeur propre du vecteur en lecture: 131.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 74 Rdmodfacs> Valeur propre du vecteur en lecture: 134.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 75 Rdmodfacs> Valeur propre du vecteur en lecture: 135.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 76 Rdmodfacs> Valeur propre du vecteur en lecture: 137.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 77 Rdmodfacs> Valeur propre du vecteur en lecture: 139.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 78 Rdmodfacs> Valeur propre du vecteur en lecture: 139.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 79 Rdmodfacs> Valeur propre du vecteur en lecture: 141.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 80 Rdmodfacs> Valeur propre du vecteur en lecture: 142.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 81 Rdmodfacs> Valeur propre du vecteur en lecture: 144.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 82 Rdmodfacs> Valeur propre du vecteur en lecture: 145.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 83 Rdmodfacs> Valeur propre du vecteur en lecture: 146.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 84 Rdmodfacs> Valeur propre du vecteur en lecture: 148.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 85 Rdmodfacs> Valeur propre du vecteur en lecture: 149.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 86 Rdmodfacs> Valeur propre du vecteur en lecture: 153.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 87 Rdmodfacs> Valeur propre du vecteur en lecture: 154.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 88 Rdmodfacs> Valeur propre du vecteur en lecture: 155.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 89 Rdmodfacs> Valeur propre du vecteur en lecture: 156.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 90 Rdmodfacs> Valeur propre du vecteur en lecture: 159.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 91 Rdmodfacs> Valeur propre du vecteur en lecture: 160.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 92 Rdmodfacs> Valeur propre du vecteur en lecture: 161.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 93 Rdmodfacs> Valeur propre du vecteur en lecture: 163.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 94 Rdmodfacs> Valeur propre du vecteur en lecture: 166.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 95 Rdmodfacs> Valeur propre du vecteur en lecture: 169.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 96 Rdmodfacs> Valeur propre du vecteur en lecture: 170.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 97 Rdmodfacs> Valeur propre du vecteur en lecture: 172.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 98 Rdmodfacs> Valeur propre du vecteur en lecture: 173.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 99 Rdmodfacs> Valeur propre du vecteur en lecture: 175.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 100 Rdmodfacs> Valeur propre du vecteur en lecture: 175.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 101 Rdmodfacs> Valeur propre du vecteur en lecture: 177.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 102 Rdmodfacs> Valeur propre du vecteur en lecture: 180.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 103 Rdmodfacs> Valeur propre du vecteur en lecture: 183.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 104 Rdmodfacs> Valeur propre du vecteur en lecture: 185.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 105 Rdmodfacs> Valeur propre du vecteur en lecture: 187.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 106 Rdmodfacs> Valeur propre du vecteur en lecture: 187.6 Bfactors> 106 vectors, 10218 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 : 9.103000 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-Wn> Experimental B-factors are nearly constant ! Bfactors> = 0.006 +/- 0.01 Bfactors> = 0.000 +/- 0.00 Bfactors> Shiftng-fct= -0.006 Bfactors> Scaling-fct= 0.000 Bfactors> Predicted, Scaled and Experimental B-factors are saved. Bfactors> Normal end. check_modes Chkmod> Version 1.00, Bordeaux. Getnam> Eigenvector filename ? Getnam> 240531115742101615.eigenfacs Openam> file on opening on unit 10: 240531115742101615.eigenfacs Rdmodfacs> Old Blzpack file format detected. Rdmodfacs> Numero du vecteur CERFACS en lecture: 1 Rdmodfacs> Frequence du vecteur en lecture: 3.4282E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 2 Rdmodfacs> Frequence du vecteur en lecture: 3.4318E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 3 Rdmodfacs> Frequence du vecteur en lecture: 3.4335E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 4 Rdmodfacs> Frequence du vecteur en lecture: 3.4342E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 5 Rdmodfacs> Frequence du vecteur en lecture: 3.4343E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 6 Rdmodfacs> Frequence du vecteur en lecture: 3.4362E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 7 Rdmodfacs> Frequence du vecteur en lecture: 327.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 8 Rdmodfacs> Frequence du vecteur en lecture: 338.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 9 Rdmodfacs> Frequence du vecteur en lecture: 445.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 10 Rdmodfacs> Frequence du vecteur en lecture: 457.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 11 Rdmodfacs> Frequence du vecteur en lecture: 468.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 12 Rdmodfacs> Frequence du vecteur en lecture: 481.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 13 Rdmodfacs> Frequence du vecteur en lecture: 493.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 14 Rdmodfacs> Frequence du vecteur en lecture: 533.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 15 Rdmodfacs> Frequence du vecteur en lecture: 551.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 16 Rdmodfacs> Frequence du vecteur en lecture: 560.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 17 Rdmodfacs> Frequence du vecteur en lecture: 575.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 18 Rdmodfacs> Frequence du vecteur en lecture: 589.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 19 Rdmodfacs> Frequence du vecteur en lecture: 600.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 20 Rdmodfacs> Frequence du vecteur en lecture: 642.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 21 Rdmodfacs> Frequence du vecteur en lecture: 658.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 22 Rdmodfacs> Frequence du vecteur en lecture: 672.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 23 Rdmodfacs> Frequence du vecteur en lecture: 703.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 24 Rdmodfacs> Frequence du vecteur en lecture: 728.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 25 Rdmodfacs> Frequence du vecteur en lecture: 738.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 26 Rdmodfacs> Frequence du vecteur en lecture: 752.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 27 Rdmodfacs> Frequence du vecteur en lecture: 770.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 28 Rdmodfacs> Frequence du vecteur en lecture: 779.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 29 Rdmodfacs> Frequence du vecteur en lecture: 791.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 30 Rdmodfacs> Frequence du vecteur en lecture: 803.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 31 Rdmodfacs> Frequence du vecteur en lecture: 811.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 32 Rdmodfacs> Frequence du vecteur en lecture: 821.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 33 Rdmodfacs> Frequence du vecteur en lecture: 840.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 34 Rdmodfacs> Frequence du vecteur en lecture: 850.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 35 Rdmodfacs> Frequence du vecteur en lecture: 870.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 36 Rdmodfacs> Frequence du vecteur en lecture: 881.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 37 Rdmodfacs> Frequence du vecteur en lecture: 901.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 38 Rdmodfacs> Frequence du vecteur en lecture: 909.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 39 Rdmodfacs> Frequence du vecteur en lecture: 918.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 40 Rdmodfacs> Frequence du vecteur en lecture: 931.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 41 Rdmodfacs> Frequence du vecteur en lecture: 937.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 42 Rdmodfacs> Frequence du vecteur en lecture: 957.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 43 Rdmodfacs> Frequence du vecteur en lecture: 962.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 44 Rdmodfacs> Frequence du vecteur en lecture: 978.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 45 Rdmodfacs> Frequence du vecteur en lecture: 987.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 46 Rdmodfacs> Frequence du vecteur en lecture: 993.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 47 Rdmodfacs> Frequence du vecteur en lecture: 1006. Rdmodfacs> Numero du vecteur CERFACS en lecture: 48 Rdmodfacs> Frequence du vecteur en lecture: 1013. Rdmodfacs> Numero du vecteur CERFACS en lecture: 49 Rdmodfacs> Frequence du vecteur en lecture: 1029. Rdmodfacs> Numero du vecteur CERFACS en lecture: 50 Rdmodfacs> Frequence du vecteur en lecture: 1040. Rdmodfacs> Numero du vecteur CERFACS en lecture: 51 Rdmodfacs> Frequence du vecteur en lecture: 1055. Rdmodfacs> Numero du vecteur CERFACS en lecture: 52 Rdmodfacs> Frequence du vecteur en lecture: 1065. Rdmodfacs> Numero du vecteur CERFACS en lecture: 53 Rdmodfacs> Frequence du vecteur en lecture: 1071. Rdmodfacs> Numero du vecteur CERFACS en lecture: 54 Rdmodfacs> Frequence du vecteur en lecture: 1076. Rdmodfacs> Numero du vecteur CERFACS en lecture: 55 Rdmodfacs> Frequence du vecteur en lecture: 1085. Rdmodfacs> Numero du vecteur CERFACS en lecture: 56 Rdmodfacs> Frequence du vecteur en lecture: 1097. Rdmodfacs> Numero du vecteur CERFACS en lecture: 57 Rdmodfacs> Frequence du vecteur en lecture: 1107. Rdmodfacs> Numero du vecteur CERFACS en lecture: 58 Rdmodfacs> Frequence du vecteur en lecture: 1115. Rdmodfacs> Numero du vecteur CERFACS en lecture: 59 Rdmodfacs> Frequence du vecteur en lecture: 1122. Rdmodfacs> Numero du vecteur CERFACS en lecture: 60 Rdmodfacs> Frequence du vecteur en lecture: 1134. Rdmodfacs> Numero du vecteur CERFACS en lecture: 61 Rdmodfacs> Frequence du vecteur en lecture: 1141. Rdmodfacs> Numero du vecteur CERFACS en lecture: 62 Rdmodfacs> Frequence du vecteur en lecture: 1151. Rdmodfacs> Numero du vecteur CERFACS en lecture: 63 Rdmodfacs> Frequence du vecteur en lecture: 1157. Rdmodfacs> Numero du vecteur CERFACS en lecture: 64 Rdmodfacs> Frequence du vecteur en lecture: 1161. Rdmodfacs> Numero du vecteur CERFACS en lecture: 65 Rdmodfacs> Frequence du vecteur en lecture: 1174. Rdmodfacs> Numero du vecteur CERFACS en lecture: 66 Rdmodfacs> Frequence du vecteur en lecture: 1187. Rdmodfacs> Numero du vecteur CERFACS en lecture: 67 Rdmodfacs> Frequence du vecteur en lecture: 1193. Rdmodfacs> Numero du vecteur CERFACS en lecture: 68 Rdmodfacs> Frequence du vecteur en lecture: 1209. Rdmodfacs> Numero du vecteur CERFACS en lecture: 69 Rdmodfacs> Frequence du vecteur en lecture: 1212. Rdmodfacs> Numero du vecteur CERFACS en lecture: 70 Rdmodfacs> Frequence du vecteur en lecture: 1232. Rdmodfacs> Numero du vecteur CERFACS en lecture: 71 Rdmodfacs> Frequence du vecteur en lecture: 1237. Rdmodfacs> Numero du vecteur CERFACS en lecture: 72 Rdmodfacs> Frequence du vecteur en lecture: 1240. Rdmodfacs> Numero du vecteur CERFACS en lecture: 73 Rdmodfacs> Frequence du vecteur en lecture: 1246. Rdmodfacs> Numero du vecteur CERFACS en lecture: 74 Rdmodfacs> Frequence du vecteur en lecture: 1260. Rdmodfacs> Numero du vecteur CERFACS en lecture: 75 Rdmodfacs> Frequence du vecteur en lecture: 1263. Rdmodfacs> Numero du vecteur CERFACS en lecture: 76 Rdmodfacs> Frequence du vecteur en lecture: 1273. Rdmodfacs> Numero du vecteur CERFACS en lecture: 77 Rdmodfacs> Frequence du vecteur en lecture: 1280. Rdmodfacs> Numero du vecteur CERFACS en lecture: 78 Rdmodfacs> Frequence du vecteur en lecture: 1283. Rdmodfacs> Numero du vecteur CERFACS en lecture: 79 Rdmodfacs> Frequence du vecteur en lecture: 1291. Rdmodfacs> Numero du vecteur CERFACS en lecture: 80 Rdmodfacs> Frequence du vecteur en lecture: 1298. Rdmodfacs> Numero du vecteur CERFACS en lecture: 81 Rdmodfacs> Frequence du vecteur en lecture: 1304. Rdmodfacs> Numero du vecteur CERFACS en lecture: 82 Rdmodfacs> Frequence du vecteur en lecture: 1309. Rdmodfacs> Numero du vecteur CERFACS en lecture: 83 Rdmodfacs> Frequence du vecteur en lecture: 1313. Rdmodfacs> Numero du vecteur CERFACS en lecture: 84 Rdmodfacs> Frequence du vecteur en lecture: 1325. Rdmodfacs> Numero du vecteur CERFACS en lecture: 85 Rdmodfacs> Frequence du vecteur en lecture: 1327. Rdmodfacs> Numero du vecteur CERFACS en lecture: 86 Rdmodfacs> Frequence du vecteur en lecture: 1345. Rdmodfacs> Numero du vecteur CERFACS en lecture: 87 Rdmodfacs> Frequence du vecteur en lecture: 1348. Rdmodfacs> Numero du vecteur CERFACS en lecture: 88 Rdmodfacs> Frequence du vecteur en lecture: 1352. Rdmodfacs> Numero du vecteur CERFACS en lecture: 89 Rdmodfacs> Frequence du vecteur en lecture: 1358. Rdmodfacs> Numero du vecteur CERFACS en lecture: 90 Rdmodfacs> Frequence du vecteur en lecture: 1371. Rdmodfacs> Numero du vecteur CERFACS en lecture: 91 Rdmodfacs> Frequence du vecteur en lecture: 1376. Rdmodfacs> Numero du vecteur CERFACS en lecture: 92 Rdmodfacs> Frequence du vecteur en lecture: 1380. Rdmodfacs> Numero du vecteur CERFACS en lecture: 93 Rdmodfacs> Frequence du vecteur en lecture: 1389. Rdmodfacs> Numero du vecteur CERFACS en lecture: 94 Rdmodfacs> Frequence du vecteur en lecture: 1400. Rdmodfacs> Numero du vecteur CERFACS en lecture: 95 Rdmodfacs> Frequence du vecteur en lecture: 1412. Rdmodfacs> Numero du vecteur CERFACS en lecture: 96 Rdmodfacs> Frequence du vecteur en lecture: 1416. Rdmodfacs> Numero du vecteur CERFACS en lecture: 97 Rdmodfacs> Frequence du vecteur en lecture: 1426. Rdmodfacs> Numero du vecteur CERFACS en lecture: 98 Rdmodfacs> Frequence du vecteur en lecture: 1432. Rdmodfacs> Numero du vecteur CERFACS en lecture: 99 Rdmodfacs> Frequence du vecteur en lecture: 1437. Rdmodfacs> Numero du vecteur CERFACS en lecture: 100 Rdmodfacs> Frequence du vecteur en lecture: 1440. Rdmodfacs> Numero du vecteur CERFACS en lecture: 101 Rdmodfacs> Frequence du vecteur en lecture: 1448. Rdmodfacs> Numero du vecteur CERFACS en lecture: 102 Rdmodfacs> Frequence du vecteur en lecture: 1460. Rdmodfacs> Numero du vecteur CERFACS en lecture: 103 Rdmodfacs> Frequence du vecteur en lecture: 1470. Rdmodfacs> Numero du vecteur CERFACS en lecture: 104 Rdmodfacs> Frequence du vecteur en lecture: 1479. Rdmodfacs> Numero du vecteur CERFACS en lecture: 105 Rdmodfacs> Frequence du vecteur en lecture: 1487. Rdmodfacs> Numero du vecteur CERFACS en lecture: 106 Rdmodfacs> Frequence du vecteur en lecture: 1487. Chkmod> 106 vectors, 10218 coordinates in file. Chkmod> That is: 3406 cartesian points. Openam> file on opening on unit 11: Chkmod.res Chkmod> Collectivity=f(frequency) to be written in this file. Chkmod> Normal end. 0.0034 0.7502 0.0034 0.7686 0.0034 0.7266 0.0034 0.8754 0.0034 0.9298 0.0034 0.7948 327.6189 0.0467 338.5747 0.1192 445.2055 0.2239 457.0971 0.1790 468.3097 0.2162 481.3466 0.1270 493.6815 0.1373 533.1817 0.1373 551.3382 0.0923 560.5641 0.1459 575.9191 0.1470 589.8767 0.1673 600.6719 0.1772 642.5911 0.3108 658.3614 0.2954 672.1859 0.4925 703.6385 0.4702 728.9072 0.3686 738.9483 0.5672 752.9374 0.1889 770.0474 0.3651 779.6344 0.6146 791.5665 0.4082 803.6883 0.5287 811.4268 0.3607 821.7510 0.5258 840.8987 0.4443 850.7267 0.4712 870.4563 0.2164 881.8952 0.3606 901.5312 0.2644 909.4096 0.3370 918.2481 0.2536 931.5068 0.2285 937.1227 0.3535 957.1657 0.5442 962.8157 0.3962 978.4861 0.3892 987.9003 0.4267 993.9094 0.3784 1005.7028 0.3109 1012.7711 0.4112 1029.2851 0.3938 1039.7708 0.3877 1055.3041 0.4466 1064.9250 0.4758 1071.2176 0.3282 1075.6114 0.2135 1084.6175 0.3451 1096.6719 0.3015 1107.3714 0.4635 1114.8000 0.5024 1121.6538 0.3610 1134.1984 0.3538 1141.4523 0.2326 1150.7117 0.3285 1156.8434 0.3936 1161.4209 0.4462 1174.0427 0.2580 1187.0270 0.4540 1193.4661 0.3753 1208.6827 0.3366 1211.6057 0.4429 1231.8729 0.3983 1237.1261 0.3995 1240.4575 0.4829 1245.6745 0.4565 1259.7929 0.4011 1263.0645 0.3820 1273.2919 0.3712 1280.2183 0.4472 1283.4378 0.3711 1291.2233 0.4402 1297.5997 0.3222 1303.9450 0.4471 1309.3593 0.2931 1313.4054 0.4007 1325.0247 0.3986 1326.8033 0.4500 1344.8979 0.3307 1348.4002 0.3632 1352.3295 0.4747 1357.5509 0.3724 1370.9474 0.4510 1376.0981 0.3620 1380.3757 0.4375 1388.8914 0.3682 1400.3054 0.5398 1411.6271 0.3162 1416.2137 0.4012 1426.1696 0.4877 1431.9453 0.3897 1436.8774 0.3576 1440.1561 0.2635 1448.3203 0.4761 1460.0773 0.4860 1470.1372 0.4561 1478.9333 0.4549 1486.8846 0.4889 1487.2811 0.4443 getting mode 7 running: ../../bin/get_modes.sh 240531115742101615 7 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 7 calculating perturbed structure for DQ=-100 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-80 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-60 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-40 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-20 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=0 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=20 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=40 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=60 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=80 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=100 240531115742101615.eigenfacs 240531115742101615.atom making animated gifs 11 models are in 240531115742101615.7.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 240531115742101615.7.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 240531115742101615.7.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 240531115742101615 8 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 8 calculating perturbed structure for DQ=-100 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-80 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-60 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-40 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-20 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=0 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=20 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=40 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=60 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=80 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=100 240531115742101615.eigenfacs 240531115742101615.atom making animated gifs 11 models are in 240531115742101615.8.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 240531115742101615.8.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 240531115742101615.8.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 240531115742101615 9 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 9 calculating perturbed structure for DQ=-100 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-80 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-60 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-40 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-20 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=0 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=20 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=40 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=60 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=80 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=100 240531115742101615.eigenfacs 240531115742101615.atom making animated gifs 11 models are in 240531115742101615.9.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 240531115742101615.9.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 240531115742101615.9.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 240531115742101615 10 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 10 calculating perturbed structure for DQ=-100 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-80 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-60 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-40 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-20 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=0 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=20 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=40 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=60 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=80 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=100 240531115742101615.eigenfacs 240531115742101615.atom making animated gifs 11 models are in 240531115742101615.10.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 240531115742101615.10.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 240531115742101615.10.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 240531115742101615 11 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 11 calculating perturbed structure for DQ=-100 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-80 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-60 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-40 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-20 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=0 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=20 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=40 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=60 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=80 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=100 240531115742101615.eigenfacs 240531115742101615.atom making animated gifs 11 models are in 240531115742101615.11.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 240531115742101615.11.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 240531115742101615.11.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 240531115742101615 12 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 12 calculating perturbed structure for DQ=-100 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-80 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-60 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-40 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-20 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=0 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=20 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=40 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=60 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=80 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=100 240531115742101615.eigenfacs 240531115742101615.atom making animated gifs 11 models are in 240531115742101615.12.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 240531115742101615.12.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 240531115742101615.12.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 240531115742101615 13 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 13 calculating perturbed structure for DQ=-100 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-80 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-60 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-40 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-20 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=0 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=20 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=40 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=60 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=80 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=100 240531115742101615.eigenfacs 240531115742101615.atom making animated gifs 11 models are in 240531115742101615.13.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 240531115742101615.13.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 240531115742101615.13.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 240531115742101615 14 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 14 calculating perturbed structure for DQ=-100 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-80 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-60 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-40 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-20 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=0 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=20 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=40 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=60 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=80 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=100 240531115742101615.eigenfacs 240531115742101615.atom making animated gifs 11 models are in 240531115742101615.14.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 240531115742101615.14.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 240531115742101615.14.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 240531115742101615 15 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 15 calculating perturbed structure for DQ=-100 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-80 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-60 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-40 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-20 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=0 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=20 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=40 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=60 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=80 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=100 240531115742101615.eigenfacs 240531115742101615.atom making animated gifs 11 models are in 240531115742101615.15.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 240531115742101615.15.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 240531115742101615.15.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 240531115742101615 16 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 16 calculating perturbed structure for DQ=-100 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-80 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-60 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-40 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-20 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=0 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=20 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=40 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=60 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=80 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=100 240531115742101615.eigenfacs 240531115742101615.atom making animated gifs 11 models are in 240531115742101615.16.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 240531115742101615.16.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 240531115742101615.16.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 240531115742101615 17 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 17 calculating perturbed structure for DQ=-100 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-80 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-60 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-40 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-20 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=0 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=20 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=40 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=60 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=80 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=100 240531115742101615.eigenfacs 240531115742101615.atom making animated gifs 11 models are in 240531115742101615.17.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 240531115742101615.17.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 240531115742101615.17.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 240531115742101615 18 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 18 calculating perturbed structure for DQ=-100 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-80 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-60 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-40 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-20 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=0 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=20 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=40 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=60 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=80 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=100 240531115742101615.eigenfacs 240531115742101615.atom making animated gifs 11 models are in 240531115742101615.18.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 240531115742101615.18.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 240531115742101615.18.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 240531115742101615 19 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 19 calculating perturbed structure for DQ=-100 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-80 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-60 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-40 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-20 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=0 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=20 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=40 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=60 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=80 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=100 240531115742101615.eigenfacs 240531115742101615.atom making animated gifs 11 models are in 240531115742101615.19.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 240531115742101615.19.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 240531115742101615.19.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 240531115742101615 20 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 20 calculating perturbed structure for DQ=-100 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-80 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-60 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-40 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-20 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=0 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=20 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=40 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=60 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=80 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=100 240531115742101615.eigenfacs 240531115742101615.atom making animated gifs 11 models are in 240531115742101615.20.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 240531115742101615.20.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 240531115742101615.20.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 240531115742101615 21 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 21 calculating perturbed structure for DQ=-100 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-80 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-60 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-40 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-20 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=0 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=20 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=40 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=60 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=80 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=100 240531115742101615.eigenfacs 240531115742101615.atom making animated gifs 11 models are in 240531115742101615.21.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 240531115742101615.21.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 240531115742101615.21.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 240531115742101615 22 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 22 calculating perturbed structure for DQ=-100 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-80 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-60 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-40 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-20 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=0 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=20 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=40 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=60 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=80 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=100 240531115742101615.eigenfacs 240531115742101615.atom making animated gifs 11 models are in 240531115742101615.22.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 240531115742101615.22.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 240531115742101615.22.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 240531115742101615 23 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 23 calculating perturbed structure for DQ=-100 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-80 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-60 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-40 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-20 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=0 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=20 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=40 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=60 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=80 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=100 240531115742101615.eigenfacs 240531115742101615.atom making animated gifs 11 models are in 240531115742101615.23.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 240531115742101615.23.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 240531115742101615.23.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 240531115742101615 24 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 24 calculating perturbed structure for DQ=-100 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-80 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-60 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-40 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-20 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=0 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=20 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=40 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=60 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=80 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=100 240531115742101615.eigenfacs 240531115742101615.atom making animated gifs 11 models are in 240531115742101615.24.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 240531115742101615.24.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 240531115742101615.24.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 240531115742101615 25 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 25 calculating perturbed structure for DQ=-100 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-80 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-60 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-40 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-20 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=0 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=20 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=40 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=60 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=80 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=100 240531115742101615.eigenfacs 240531115742101615.atom making animated gifs 11 models are in 240531115742101615.25.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 240531115742101615.25.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 240531115742101615.25.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 240531115742101615 26 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 26 calculating perturbed structure for DQ=-100 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-80 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-60 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-40 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-20 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=0 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=20 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=40 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=60 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=80 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=100 240531115742101615.eigenfacs 240531115742101615.atom making animated gifs 11 models are in 240531115742101615.26.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 240531115742101615.26.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 240531115742101615.26.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 240531115742101615 27 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 27 calculating perturbed structure for DQ=-100 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-80 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-60 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-40 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-20 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=0 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=20 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=40 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=60 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=80 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=100 240531115742101615.eigenfacs 240531115742101615.atom making animated gifs 11 models are in 240531115742101615.27.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 240531115742101615.27.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 240531115742101615.27.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 240531115742101615 28 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 28 calculating perturbed structure for DQ=-100 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-80 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-60 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-40 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-20 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=0 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=20 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=40 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=60 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=80 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=100 240531115742101615.eigenfacs 240531115742101615.atom making animated gifs 11 models are in 240531115742101615.28.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 240531115742101615.28.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 240531115742101615.28.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 240531115742101615 29 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 29 calculating perturbed structure for DQ=-100 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-80 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-60 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-40 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-20 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=0 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=20 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=40 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=60 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=80 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=100 240531115742101615.eigenfacs 240531115742101615.atom making animated gifs 11 models are in 240531115742101615.29.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 240531115742101615.29.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 240531115742101615.29.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 240531115742101615 30 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 30 calculating perturbed structure for DQ=-100 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-80 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-60 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-40 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-20 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=0 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=20 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=40 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=60 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=80 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=100 240531115742101615.eigenfacs 240531115742101615.atom making animated gifs 11 models are in 240531115742101615.30.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 240531115742101615.30.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 240531115742101615.30.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 240531115742101615 31 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 31 calculating perturbed structure for DQ=-100 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-80 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-60 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-40 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=-20 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=0 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=20 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=40 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=60 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=80 240531115742101615.eigenfacs 240531115742101615.atom calculating perturbed structure for DQ=100 240531115742101615.eigenfacs 240531115742101615.atom making animated gifs 11 models are in 240531115742101615.31.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 240531115742101615.31.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 240531115742101615.31.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 240531115742101615.10.pdb 240531115742101615.11.pdb 240531115742101615.12.pdb 240531115742101615.13.pdb 240531115742101615.14.pdb 240531115742101615.15.pdb 240531115742101615.16.pdb 240531115742101615.17.pdb 240531115742101615.18.pdb 240531115742101615.19.pdb 240531115742101615.20.pdb 240531115742101615.21.pdb 240531115742101615.22.pdb 240531115742101615.23.pdb 240531115742101615.24.pdb 240531115742101615.25.pdb 240531115742101615.26.pdb 240531115742101615.27.pdb 240531115742101615.28.pdb 240531115742101615.29.pdb 240531115742101615.30.pdb 240531115742101615.31.pdb 240531115742101615.7.pdb 240531115742101615.8.pdb 240531115742101615.9.pdb STDERR: Note: The following floating-point exceptions are signalling: IEEE_DENORMAL real 0m8.970s user 0m8.906s sys 0m0.064s rm: cannot remove '240531115742101615.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: 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elNémo is maintained by Yves-Henri Sanejouand.
It was developed by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 25th, 2023.