CNRS Nantes University UFIP UFIP
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***  pigments2  ***

LOGs for ID: 22110512522071667

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 = 22110512522071667.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 22110512522071667.atom to be opened. Openam> File opened: 22110512522071667.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 = 10 First residue number = 313 Last residue number = 322 Number of atoms found = 1038 Mean number per residue = 103.8 Pdbmat> Coordinate statistics: = 45.372418 +/- 11.281856 From: 23.855000 To: 65.005000 = 43.798012 +/- 7.238099 From: 27.989000 To: 63.284000 = 31.442472 +/- 5.190650 From: 20.019000 To: 45.949000 Pdbmat> Masses are all set to one. %Pdbmat-W> residue:'LOP ' is not a well known amino-acid. %Pdbmat-W> residue:'LOP ' is not a well known amino-acid. %Pdbmat-W> residue:'LOP ' is not a well known amino-acid. %Pdbmat-W> residue:'LOP ' is not a well known amino-acid. %Pdbmat-W> residue:'LOP ' is not a well known amino-acid. %Pdbmat-W> residue:'LOP ' is not a well known amino-acid. %Pdbmat-W> residue:'LOP ' is not a well known amino-acid. %Pdbmat-W> residue:'LOP ' is not a well known amino-acid. %Pdbmat-W> residue:'CHL ' is not a well known amino-acid. %Pdbmat-W> ........ %Pdbmat-W> 10 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 11.1470 % Filled. Pdbmat> 540638 non-zero elements. Pdbmat> 59390 atom-atom interactions. Pdbmat> Number per atom= 114.43 +/- 41.76 Maximum number = 210 Minimum number = 30 Pdbmat> Matrix trace = 1.187800E+06 Pdbmat> Larger element = 765.409 Pdbmat> 0 elements larger than +/- 1.0E+10 Pdbmat> Normal end. automatic determination of NRBL (NRBL = nresidues/200 + 1) 10 non-zero elements, NRBL set to 1 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 = 22110512522071667.atom Eigenvector OUTPut file = matrix.eigenrtb Nb of VECTors required = 106 EigeNVALues chosen = LOWE Type of SUBStructuring = NONE Nb of residues per BLOck = 1 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 22110512522071667.atom to be opened. Openam> file on opening on unit 11: 22110512522071667.atom Blocpdb> Coordinate file in PDB format. Blocpdb> 1038 atoms picked in pdb file. Blocpdb> All masses set to unity. Blocpdb> Coordinate file is rewritten. Blocpdb> Substructuring: Blocpdb> 1 residue(s) per block. Blocpdb> 10 residues. Blocpdb> 96 atoms in block 1 Block first atom: 1 Blocpdb> 96 atoms in block 2 Block first atom: 97 Blocpdb> 96 atoms in block 3 Block first atom: 193 Blocpdb> 96 atoms in block 4 Block first atom: 289 Blocpdb> 96 atoms in block 5 Block first atom: 385 Blocpdb> 96 atoms in block 6 Block first atom: 481 Blocpdb> 96 atoms in block 7 Block first atom: 577 Blocpdb> 96 atoms in block 8 Block first atom: 673 Blocpdb> 135 atoms in block 9 Block first atom: 769 Blocpdb> 135 atoms in block 10 Block first atom: 903 Blocpdb> 10 blocks. Blocpdb> At most, 135 atoms in each of them. Blocpdb> At least, 96 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-Wn> 60 eigenvectors, only, can be determined. Diagrtb> Memory allocation for RTB_to_modes. Prepmat> Entering in. Prepmat> Rewriting of the matrix begins. Prepmat> 540648 matrix lines read. Prepmat> Matrix order = 3114 Prepmat> Matrix trace = 1187800.0000 Prepmat> Last element read: 3114 3114 519.8418 Prepmat> 56 lines saved. Prepmat> 11 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: 1038 RTB> Total mass = 1038.0000 RTB> Number of atoms found in matrix: 1038 RTB> Number of blocks = 10 RTB> Projection begins. RTB> Projected matrix is being saved. RTB> Projected matrix trace = 13251.2922 RTB> 1434 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 = 60 Diagstd> Nb of non-zero elements: 1434 Diagstd> Projected matrix trace = 13251.2922 Openam> file on opening on unit 11: diagrtb_work.eigenfacs Diagstd> Diagonalization. Diagstd> 60 eigenvectors are computed. Diagstd> 60 of them to be saved. Diagstd> Sum of eigenvalues = 13251.2922 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 8.9910323 11.7727115 21.5180197 33.8419243 36.9870866 45.7003221 50.9239488 68.1852652 68.8916968 77.3454132 93.9939209 115.3707536 118.1376348 123.6557446 135.0138699 145.6159118 152.8786773 160.5718698 168.7593359 179.0002283 185.7964114 193.1835240 201.0130150 211.2365129 217.8292280 226.3303002 241.0922976 252.1099178 252.8232987 262.8781949 272.1362676 278.4399075 280.3247234 286.3231439 289.1925121 299.3211422 308.6727550 312.7749830 325.7381287 331.2950851 333.5254431 345.9856732 362.0041421 373.1004475 386.4477485 411.0831178 432.4062949 450.6174918 461.9412843 490.4344965 499.6459427 515.4173283 536.9178731 606.0982016 Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units): 0.0034336 0.0034338 0.0034339 0.0034339 0.0034341 0.0034342 325.6117437 372.5920050 503.7283929 631.7173505 660.4201906 734.0994701 774.9190130 896.6863265 901.3194047 955.0202103 1052.7982720 1166.3882743 1180.2918715 1207.5425109 1261.7824223 1310.3873659 1342.6683097 1376.0366858 1410.6821925 1452.8543321 1480.1779865 1509.3165086 1539.5981092 1578.2644526 1602.7041313 1633.6786371 1686.1140533 1724.2103420 1726.6480680 1760.6480995 1791.3831807 1812.0117965 1818.1343892 1837.4837511 1846.6679090 1878.7282992 1907.8508918 1920.4866159 1959.8804411 1976.5271158 1983.1691829 2019.8742750 2066.1033895 2097.5299237 2134.7187809 2201.7099298 2258.0901907 2305.1505959 2333.9345282 2404.8377763 2427.3168062 2465.3284527 2516.2234813 2673.4174468 Diagstd> Normal end. Rtb_to_modes> Entering in. Rtb_to_modes> Number of atoms in temporary block-file = 1038 Rtb_to_modes> Number of blocs = 10 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: 9.9980E-10 Rdmodfacs> Eigenvector number: 2 Rdmodfacs> Corresponding eigenvalue: 9.9989E-10 Rdmodfacs> Eigenvector number: 3 Rdmodfacs> Corresponding eigenvalue: 9.9994E-10 Rdmodfacs> Eigenvector number: 4 Rdmodfacs> Corresponding eigenvalue: 9.9999E-10 Rdmodfacs> Eigenvector number: 5 Rdmodfacs> Corresponding eigenvalue: 1.0001E-09 Rdmodfacs> Eigenvector number: 6 Rdmodfacs> Corresponding eigenvalue: 1.0002E-09 Rdmodfacs> Eigenvector number: 7 Rdmodfacs> Corresponding eigenvalue: 8.991 Rdmodfacs> Eigenvector number: 8 Rdmodfacs> Corresponding eigenvalue: 11.77 Rdmodfacs> Eigenvector number: 9 Rdmodfacs> Corresponding eigenvalue: 21.52 Rdmodfacs> Eigenvector number: 10 Rdmodfacs> Corresponding eigenvalue: 33.84 Rdmodfacs> Eigenvector number: 11 Rdmodfacs> Corresponding eigenvalue: 36.99 Rdmodfacs> Eigenvector number: 12 Rdmodfacs> Corresponding eigenvalue: 45.70 Rdmodfacs> Eigenvector number: 13 Rdmodfacs> Corresponding eigenvalue: 50.92 Rdmodfacs> Eigenvector number: 14 Rdmodfacs> Corresponding eigenvalue: 68.19 Rdmodfacs> Eigenvector number: 15 Rdmodfacs> Corresponding eigenvalue: 68.89 Rdmodfacs> Eigenvector number: 16 Rdmodfacs> Corresponding eigenvalue: 77.35 Rdmodfacs> Eigenvector number: 17 Rdmodfacs> Corresponding eigenvalue: 93.99 Rdmodfacs> Eigenvector number: 18 Rdmodfacs> Corresponding eigenvalue: 115.4 Rdmodfacs> Eigenvector number: 19 Rdmodfacs> Corresponding eigenvalue: 118.1 Rdmodfacs> Eigenvector number: 20 Rdmodfacs> Corresponding eigenvalue: 123.7 Rdmodfacs> Eigenvector number: 21 Rdmodfacs> Corresponding eigenvalue: 135.0 Rdmodfacs> Eigenvector number: 22 Rdmodfacs> Corresponding eigenvalue: 145.6 Rdmodfacs> Eigenvector number: 23 Rdmodfacs> Corresponding eigenvalue: 152.9 Rdmodfacs> Eigenvector number: 24 Rdmodfacs> Corresponding eigenvalue: 160.6 Rdmodfacs> Eigenvector number: 25 Rdmodfacs> Corresponding eigenvalue: 168.8 Rdmodfacs> Eigenvector number: 26 Rdmodfacs> Corresponding eigenvalue: 179.0 Rdmodfacs> Eigenvector number: 27 Rdmodfacs> Corresponding eigenvalue: 185.8 Rdmodfacs> Eigenvector number: 28 Rdmodfacs> Corresponding eigenvalue: 193.2 Rdmodfacs> Eigenvector number: 29 Rdmodfacs> Corresponding eigenvalue: 201.0 Rdmodfacs> Eigenvector number: 30 Rdmodfacs> Corresponding eigenvalue: 211.2 Rdmodfacs> Eigenvector number: 31 Rdmodfacs> Corresponding eigenvalue: 217.8 Rdmodfacs> Eigenvector number: 32 Rdmodfacs> Corresponding eigenvalue: 226.3 Rdmodfacs> Eigenvector number: 33 Rdmodfacs> Corresponding eigenvalue: 241.1 Rdmodfacs> Eigenvector number: 34 Rdmodfacs> Corresponding eigenvalue: 252.1 Rdmodfacs> Eigenvector number: 35 Rdmodfacs> Corresponding eigenvalue: 252.8 Rdmodfacs> Eigenvector number: 36 Rdmodfacs> Corresponding eigenvalue: 262.9 Rdmodfacs> Eigenvector number: 37 Rdmodfacs> Corresponding eigenvalue: 272.1 Rdmodfacs> Eigenvector number: 38 Rdmodfacs> Corresponding eigenvalue: 278.4 Rdmodfacs> Eigenvector number: 39 Rdmodfacs> Corresponding eigenvalue: 280.3 Rdmodfacs> Eigenvector number: 40 Rdmodfacs> Corresponding eigenvalue: 286.3 Rdmodfacs> Eigenvector number: 41 Rdmodfacs> Corresponding eigenvalue: 289.2 Rdmodfacs> Eigenvector number: 42 Rdmodfacs> Corresponding eigenvalue: 299.3 Rdmodfacs> Eigenvector number: 43 Rdmodfacs> Corresponding eigenvalue: 308.7 Rdmodfacs> Eigenvector number: 44 Rdmodfacs> Corresponding eigenvalue: 312.8 Rdmodfacs> Eigenvector number: 45 Rdmodfacs> Corresponding eigenvalue: 325.7 Rdmodfacs> Eigenvector number: 46 Rdmodfacs> Corresponding eigenvalue: 331.3 Rdmodfacs> Eigenvector number: 47 Rdmodfacs> Corresponding eigenvalue: 333.5 Rdmodfacs> Eigenvector number: 48 Rdmodfacs> Corresponding eigenvalue: 346.0 Rdmodfacs> Eigenvector number: 49 Rdmodfacs> Corresponding eigenvalue: 362.0 Rdmodfacs> Eigenvector number: 50 Rdmodfacs> Corresponding eigenvalue: 373.1 Rdmodfacs> Eigenvector number: 51 Rdmodfacs> Corresponding eigenvalue: 386.4 Rdmodfacs> Eigenvector number: 52 Rdmodfacs> Corresponding eigenvalue: 411.1 Rdmodfacs> Eigenvector number: 53 Rdmodfacs> Corresponding eigenvalue: 432.4 Rdmodfacs> Eigenvector number: 54 Rdmodfacs> Corresponding eigenvalue: 450.6 Rdmodfacs> Eigenvector number: 55 Rdmodfacs> Corresponding eigenvalue: 461.9 Rdmodfacs> Eigenvector number: 56 Rdmodfacs> Corresponding eigenvalue: 490.4 Rdmodfacs> Eigenvector number: 57 Rdmodfacs> Corresponding eigenvalue: 499.6 Rdmodfacs> Eigenvector number: 58 Rdmodfacs> Corresponding eigenvalue: 515.4 Rdmodfacs> Eigenvector number: 59 Rdmodfacs> Corresponding eigenvalue: 536.9 Rdmodfacs> Eigenvector number: 60 Rdmodfacs> Corresponding eigenvalue: 606.1 Rtb_to_modes> 60 vectors, with 60 coordinates in vector file. Norm of eigenvectors in projected coordinates (one expected): 0.99998 0.99999 1.00004 1.00003 0.99998 1.00002 1.00002 0.99995 0.99999 1.00001 0.99997 0.99997 1.00008 1.00002 1.00006 0.99998 1.00001 1.00006 1.00003 1.00000 0.99997 1.00001 0.99999 0.99996 1.00000 0.99998 1.00004 1.00000 1.00004 0.99998 0.99998 1.00000 1.00003 0.99996 0.99999 1.00003 0.99999 1.00000 1.00004 1.00000 1.00002 1.00003 1.00001 1.00002 1.00002 0.99995 1.00006 1.00000 1.00000 1.00001 1.00003 1.00001 1.00001 1.00004 1.00003 1.00001 0.99999 1.00003 1.00004 1.00004 Rtb_to_modes> RTB block-file is being read. Rtb_to_modes> 18684 lines found in RTB file. Norm of eigenvectors in cartesian coordinates (one expected): 0.99998 0.99999 1.00004 1.00003 0.99998 1.00002 1.00002 0.99995 0.99999 1.00001 0.99997 0.99997 1.00008 1.00002 1.00006 0.99998 1.00001 1.00006 1.00003 1.00000 0.99997 1.00001 0.99999 0.99996 1.00000 0.99998 1.00004 1.00000 1.00004 0.99998 0.99998 1.00000 1.00003 0.99996 0.99999 1.00003 0.99999 1.00000 1.00004 1.00000 1.00002 1.00003 1.00001 1.00002 1.00002 0.99995 1.00006 1.00000 1.00000 1.00001 1.00003 1.00001 1.00001 1.00004 1.00003 1.00001 0.99999 1.00003 1.00004 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> 60 eigenvectors saved. Rtb_to_modes> Normal end. Diagrtb> Normal end. B-factor analysis Bfactors> Version 1.22, Bordeaux. Getnam> Eigenvector filename ? Getnam> 22110512522071667.eigenfacs Openam> file on opening on unit 10: 22110512522071667.eigenfacs Getnam> Corresponding pdb filename ? Getnam> 22110512522071667.atom Openam> file on opening on unit 11: 22110512522071667.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 = 10 First residue number = 313 Last residue number = 322 Number of atoms found = 1038 Mean number per residue = 103.8 Rdmodfacs> Old Blzpack file format detected. Rdmodfacs> Numero du vecteur CERFACS en lecture: 1 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9980E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 2 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9989E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 3 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9994E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 4 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9999E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 5 Rdmodfacs> Valeur propre du vecteur en lecture: 1.0001E-09 Rdmodfacs> Numero du vecteur CERFACS en lecture: 6 Rdmodfacs> Valeur propre du vecteur en lecture: 1.0002E-09 Rdmodfacs> Numero du vecteur CERFACS en lecture: 7 Rdmodfacs> Valeur propre du vecteur en lecture: 8.991 Rdmodfacs> Numero du vecteur CERFACS en lecture: 8 Rdmodfacs> Valeur propre du vecteur en lecture: 11.77 Rdmodfacs> Numero du vecteur CERFACS en lecture: 9 Rdmodfacs> Valeur propre du vecteur en lecture: 21.52 Rdmodfacs> Numero du vecteur CERFACS en lecture: 10 Rdmodfacs> Valeur propre du vecteur en lecture: 33.84 Rdmodfacs> Numero du vecteur CERFACS en lecture: 11 Rdmodfacs> Valeur propre du vecteur en lecture: 36.99 Rdmodfacs> Numero du vecteur CERFACS en lecture: 12 Rdmodfacs> Valeur propre du vecteur en lecture: 45.70 Rdmodfacs> Numero du vecteur CERFACS en lecture: 13 Rdmodfacs> Valeur propre du vecteur en lecture: 50.92 Rdmodfacs> Numero du vecteur CERFACS en lecture: 14 Rdmodfacs> Valeur propre du vecteur en lecture: 68.19 Rdmodfacs> Numero du vecteur CERFACS en lecture: 15 Rdmodfacs> Valeur propre du vecteur en lecture: 68.89 Rdmodfacs> Numero du vecteur CERFACS en lecture: 16 Rdmodfacs> Valeur propre du vecteur en lecture: 77.35 Rdmodfacs> Numero du vecteur CERFACS en lecture: 17 Rdmodfacs> Valeur propre du vecteur en lecture: 93.99 Rdmodfacs> Numero du vecteur CERFACS en lecture: 18 Rdmodfacs> Valeur propre du vecteur en lecture: 115.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 19 Rdmodfacs> Valeur propre du vecteur en lecture: 118.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 20 Rdmodfacs> Valeur propre du vecteur en lecture: 123.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 21 Rdmodfacs> Valeur propre du vecteur en lecture: 135.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 22 Rdmodfacs> Valeur propre du vecteur en lecture: 145.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 23 Rdmodfacs> Valeur propre du vecteur en lecture: 152.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 24 Rdmodfacs> Valeur propre du vecteur en lecture: 160.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 25 Rdmodfacs> Valeur propre du vecteur en lecture: 168.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 26 Rdmodfacs> Valeur propre du vecteur en lecture: 179.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 27 Rdmodfacs> Valeur propre du vecteur en lecture: 185.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 28 Rdmodfacs> Valeur propre du vecteur en lecture: 193.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 29 Rdmodfacs> Valeur propre du vecteur en lecture: 201.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 30 Rdmodfacs> Valeur propre du vecteur en lecture: 211.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 31 Rdmodfacs> Valeur propre du vecteur en lecture: 217.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 32 Rdmodfacs> Valeur propre du vecteur en lecture: 226.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 33 Rdmodfacs> Valeur propre du vecteur en lecture: 241.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 34 Rdmodfacs> Valeur propre du vecteur en lecture: 252.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 35 Rdmodfacs> Valeur propre du vecteur en lecture: 252.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 36 Rdmodfacs> Valeur propre du vecteur en lecture: 262.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 37 Rdmodfacs> Valeur propre du vecteur en lecture: 272.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 38 Rdmodfacs> Valeur propre du vecteur en lecture: 278.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 39 Rdmodfacs> Valeur propre du vecteur en lecture: 280.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 40 Rdmodfacs> Valeur propre du vecteur en lecture: 286.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 41 Rdmodfacs> Valeur propre du vecteur en lecture: 289.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 42 Rdmodfacs> Valeur propre du vecteur en lecture: 299.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 43 Rdmodfacs> Valeur propre du vecteur en lecture: 308.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 44 Rdmodfacs> Valeur propre du vecteur en lecture: 312.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 45 Rdmodfacs> Valeur propre du vecteur en lecture: 325.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 46 Rdmodfacs> Valeur propre du vecteur en lecture: 331.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 47 Rdmodfacs> Valeur propre du vecteur en lecture: 333.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 48 Rdmodfacs> Valeur propre du vecteur en lecture: 346.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 49 Rdmodfacs> Valeur propre du vecteur en lecture: 362.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 50 Rdmodfacs> Valeur propre du vecteur en lecture: 373.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 51 Rdmodfacs> Valeur propre du vecteur en lecture: 386.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 52 Rdmodfacs> Valeur propre du vecteur en lecture: 411.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 53 Rdmodfacs> Valeur propre du vecteur en lecture: 432.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 54 Rdmodfacs> Valeur propre du vecteur en lecture: 450.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 55 Rdmodfacs> Valeur propre du vecteur en lecture: 461.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 56 Rdmodfacs> Valeur propre du vecteur en lecture: 490.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 57 Rdmodfacs> Valeur propre du vecteur en lecture: 499.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 58 Rdmodfacs> Valeur propre du vecteur en lecture: 515.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 59 Rdmodfacs> Valeur propre du vecteur en lecture: 536.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 60 Rdmodfacs> Valeur propre du vecteur en lecture: 606.1 Bfactors> 60 vectors, 3114 coordinates in file. %Bfactors-Wn> All vectors required were not found in vector 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 : 8.991000 Bfactors> 54 eigenvectors will be considered. Bfactors> Rotation-Tranlation modes are skipped. Bfactors> Mass-weighted B-factors are computed. (CHARMM units assumed for eigenvalues) %Bfactors-Wn> 0 negative values found in the B-factors column of pdb file. %Bfactors-Wn> So, only mass-weighted predicted B-factors will be saved. (CHARMM units assumed for eigenvalues) Bfactors> Normal end. check_modes Chkmod> Version 1.00, Bordeaux. Getnam> Eigenvector filename ? Getnam> 22110512522071667.eigenfacs Openam> file on opening on unit 10: 22110512522071667.eigenfacs Rdmodfacs> Old Blzpack file format detected. Rdmodfacs> Numero du vecteur CERFACS en lecture: 1 Rdmodfacs> Frequence du vecteur en lecture: 3.4335E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 2 Rdmodfacs> Frequence du vecteur en lecture: 3.4336E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 3 Rdmodfacs> Frequence du vecteur en lecture: 3.4337E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 4 Rdmodfacs> Frequence du vecteur en lecture: 3.4338E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 5 Rdmodfacs> Frequence du vecteur en lecture: 3.4340E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 6 Rdmodfacs> Frequence du vecteur en lecture: 3.4342E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 7 Rdmodfacs> Frequence du vecteur en lecture: 325.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 8 Rdmodfacs> Frequence du vecteur en lecture: 372.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 9 Rdmodfacs> Frequence du vecteur en lecture: 503.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 10 Rdmodfacs> Frequence du vecteur en lecture: 631.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 11 Rdmodfacs> Frequence du vecteur en lecture: 660.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 12 Rdmodfacs> Frequence du vecteur en lecture: 734.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 13 Rdmodfacs> Frequence du vecteur en lecture: 774.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 14 Rdmodfacs> Frequence du vecteur en lecture: 896.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 15 Rdmodfacs> Frequence du vecteur en lecture: 901.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 16 Rdmodfacs> Frequence du vecteur en lecture: 955.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 17 Rdmodfacs> Frequence du vecteur en lecture: 1053. Rdmodfacs> Numero du vecteur CERFACS en lecture: 18 Rdmodfacs> Frequence du vecteur en lecture: 1166. Rdmodfacs> Numero du vecteur CERFACS en lecture: 19 Rdmodfacs> Frequence du vecteur en lecture: 1180. Rdmodfacs> Numero du vecteur CERFACS en lecture: 20 Rdmodfacs> Frequence du vecteur en lecture: 1208. Rdmodfacs> Numero du vecteur CERFACS en lecture: 21 Rdmodfacs> Frequence du vecteur en lecture: 1262. Rdmodfacs> Numero du vecteur CERFACS en lecture: 22 Rdmodfacs> Frequence du vecteur en lecture: 1310. Rdmodfacs> Numero du vecteur CERFACS en lecture: 23 Rdmodfacs> Frequence du vecteur en lecture: 1343. Rdmodfacs> Numero du vecteur CERFACS en lecture: 24 Rdmodfacs> Frequence du vecteur en lecture: 1376. Rdmodfacs> Numero du vecteur CERFACS en lecture: 25 Rdmodfacs> Frequence du vecteur en lecture: 1411. Rdmodfacs> Numero du vecteur CERFACS en lecture: 26 Rdmodfacs> Frequence du vecteur en lecture: 1453. Rdmodfacs> Numero du vecteur CERFACS en lecture: 27 Rdmodfacs> Frequence du vecteur en lecture: 1480. Rdmodfacs> Numero du vecteur CERFACS en lecture: 28 Rdmodfacs> Frequence du vecteur en lecture: 1509. Rdmodfacs> Numero du vecteur CERFACS en lecture: 29 Rdmodfacs> Frequence du vecteur en lecture: 1539. Rdmodfacs> Numero du vecteur CERFACS en lecture: 30 Rdmodfacs> Frequence du vecteur en lecture: 1578. Rdmodfacs> Numero du vecteur CERFACS en lecture: 31 Rdmodfacs> Frequence du vecteur en lecture: 1603. Rdmodfacs> Numero du vecteur CERFACS en lecture: 32 Rdmodfacs> Frequence du vecteur en lecture: 1633. Rdmodfacs> Numero du vecteur CERFACS en lecture: 33 Rdmodfacs> Frequence du vecteur en lecture: 1686. Rdmodfacs> Numero du vecteur CERFACS en lecture: 34 Rdmodfacs> Frequence du vecteur en lecture: 1724. Rdmodfacs> Numero du vecteur CERFACS en lecture: 35 Rdmodfacs> Frequence du vecteur en lecture: 1726. Rdmodfacs> Numero du vecteur CERFACS en lecture: 36 Rdmodfacs> Frequence du vecteur en lecture: 1761. Rdmodfacs> Numero du vecteur CERFACS en lecture: 37 Rdmodfacs> Frequence du vecteur en lecture: 1791. Rdmodfacs> Numero du vecteur CERFACS en lecture: 38 Rdmodfacs> Frequence du vecteur en lecture: 1812. Rdmodfacs> Numero du vecteur CERFACS en lecture: 39 Rdmodfacs> Frequence du vecteur en lecture: 1818. Rdmodfacs> Numero du vecteur CERFACS en lecture: 40 Rdmodfacs> Frequence du vecteur en lecture: 1837. Rdmodfacs> Numero du vecteur CERFACS en lecture: 41 Rdmodfacs> Frequence du vecteur en lecture: 1847. Rdmodfacs> Numero du vecteur CERFACS en lecture: 42 Rdmodfacs> Frequence du vecteur en lecture: 1879. Rdmodfacs> Numero du vecteur CERFACS en lecture: 43 Rdmodfacs> Frequence du vecteur en lecture: 1908. Rdmodfacs> Numero du vecteur CERFACS en lecture: 44 Rdmodfacs> Frequence du vecteur en lecture: 1920. Rdmodfacs> Numero du vecteur CERFACS en lecture: 45 Rdmodfacs> Frequence du vecteur en lecture: 1960. Rdmodfacs> Numero du vecteur CERFACS en lecture: 46 Rdmodfacs> Frequence du vecteur en lecture: 1976. Rdmodfacs> Numero du vecteur CERFACS en lecture: 47 Rdmodfacs> Frequence du vecteur en lecture: 1983. Rdmodfacs> Numero du vecteur CERFACS en lecture: 48 Rdmodfacs> Frequence du vecteur en lecture: 2020. Rdmodfacs> Numero du vecteur CERFACS en lecture: 49 Rdmodfacs> Frequence du vecteur en lecture: 2066. Rdmodfacs> Numero du vecteur CERFACS en lecture: 50 Rdmodfacs> Frequence du vecteur en lecture: 2097. Rdmodfacs> Numero du vecteur CERFACS en lecture: 51 Rdmodfacs> Frequence du vecteur en lecture: 2134. Rdmodfacs> Numero du vecteur CERFACS en lecture: 52 Rdmodfacs> Frequence du vecteur en lecture: 2202. Rdmodfacs> Numero du vecteur CERFACS en lecture: 53 Rdmodfacs> Frequence du vecteur en lecture: 2258. Rdmodfacs> Numero du vecteur CERFACS en lecture: 54 Rdmodfacs> Frequence du vecteur en lecture: 2305. Rdmodfacs> Numero du vecteur CERFACS en lecture: 55 Rdmodfacs> Frequence du vecteur en lecture: 2334. Rdmodfacs> Numero du vecteur CERFACS en lecture: 56 Rdmodfacs> Frequence du vecteur en lecture: 2405. Rdmodfacs> Numero du vecteur CERFACS en lecture: 57 Rdmodfacs> Frequence du vecteur en lecture: 2427. Rdmodfacs> Numero du vecteur CERFACS en lecture: 58 Rdmodfacs> Frequence du vecteur en lecture: 2465. Rdmodfacs> Numero du vecteur CERFACS en lecture: 59 Rdmodfacs> Frequence du vecteur en lecture: 2516. Rdmodfacs> Numero du vecteur CERFACS en lecture: 60 Rdmodfacs> Frequence du vecteur en lecture: 2673. Chkmod> 60 vectors, 3114 coordinates in file. Chkmod> That is: 1038 cartesian points. Openam> file on opening on unit 11: Chkmod.res Chkmod> Collectivity=f(frequency) to be written in this file. %Chkmod-Wn> Norm of vector 13 is: 1.0002 (instead of 1.0000). %Chkmod-Wn> Norm of vector 15 is: 1.0001 (instead of 1.0000). %Chkmod-Wn> Norm of vector 18 is: 1.0001 (instead of 1.0000). %Chkmod-Wn> Norm of vector 46 is: 0.9999 (instead of 1.0000). %Chkmod-Wn> Norm of vector 47 is: 1.0001 (instead of 1.0000). Chkmod> Normal end. 0.0034 0.9656 0.0034 0.8026 0.0034 0.8204 0.0034 0.7540 0.0034 0.6743 0.0034 0.6787 325.5972 0.7247 372.5331 0.6115 503.7299 0.5637 631.6723 0.2203 660.4178 0.2496 734.0654 0.4054 774.8557 0.4012 896.6790 0.5610 901.2696 0.3336 955.0075 0.4278 1052.7311 0.5581 1166.4860 0.5691 1180.0532 0.5328 1207.7067 0.5588 1261.6634 0.5442 1310.2595 0.2707 1342.7043 0.7062 1376.0981 0.5278 1410.7916 0.5653 1452.7910 0.4936 1480.1287 0.5926 1509.3161 0.5150 1539.4822 0.7075 1578.0603 0.7022 1602.5278 0.6163 1633.4992 0.6907 1686.0686 0.6816 1724.1024 0.6527 1726.4944 0.6269 1760.6455 0.6197 1791.1869 0.6129 1811.8042 0.6270 1817.9762 0.6545 1837.3306 0.6631 1846.6125 0.5570 1878.5813 0.5675 1907.8532 0.6170 1920.4810 0.5703 1959.6816 0.6846 1976.4569 0.7038 1983.0084 0.5508 2019.8294 0.6005 2066.0029 0.6040 2097.4386 0.6213 2134.4953 0.5952 2201.6606 0.4730 2257.9768 0.4036 2305.0069 0.5137 2333.7300 0.4101 2404.6500 0.4276 2427.1010 0.4434 2465.1812 0.5228 2516.0736 0.3663 2673.3066 0.2338 getting mode 7 running: ../../bin/get_modes.sh 22110512522071667 7 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 7 calculating perturbed structure for DQ=-100 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-80 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-60 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-40 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-20 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=0 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=20 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=40 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=60 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=80 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=100 22110512522071667.eigenfacs 22110512522071667.atom making animated gifs 11 models are in 22110512522071667.7.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 22110512522071667.7.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 22110512522071667.7.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 22110512522071667 8 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 8 calculating perturbed structure for DQ=-100 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-80 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-60 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-40 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-20 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=0 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=20 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=40 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=60 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=80 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=100 22110512522071667.eigenfacs 22110512522071667.atom making animated gifs 11 models are in 22110512522071667.8.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 22110512522071667.8.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 22110512522071667.8.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 22110512522071667 9 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 9 calculating perturbed structure for DQ=-100 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-80 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-60 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-40 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-20 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=0 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=20 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=40 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=60 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=80 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=100 22110512522071667.eigenfacs 22110512522071667.atom making animated gifs 11 models are in 22110512522071667.9.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 22110512522071667.9.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 22110512522071667.9.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 22110512522071667 10 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 10 calculating perturbed structure for DQ=-100 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-80 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-60 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-40 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-20 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=0 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=20 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=40 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=60 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=80 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=100 22110512522071667.eigenfacs 22110512522071667.atom making animated gifs 11 models are in 22110512522071667.10.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 22110512522071667.10.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 22110512522071667.10.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 22110512522071667 11 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 11 calculating perturbed structure for DQ=-100 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-80 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-60 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-40 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-20 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=0 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=20 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=40 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=60 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=80 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=100 22110512522071667.eigenfacs 22110512522071667.atom making animated gifs 11 models are in 22110512522071667.11.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 22110512522071667.11.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 22110512522071667.11.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 22110512522071667 12 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 12 calculating perturbed structure for DQ=-100 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-80 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-60 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-40 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-20 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=0 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=20 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=40 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=60 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=80 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=100 22110512522071667.eigenfacs 22110512522071667.atom making animated gifs 11 models are in 22110512522071667.12.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 22110512522071667.12.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 22110512522071667.12.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 22110512522071667 13 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 13 calculating perturbed structure for DQ=-100 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-80 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-60 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-40 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-20 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=0 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=20 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=40 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=60 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=80 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=100 22110512522071667.eigenfacs 22110512522071667.atom making animated gifs 11 models are in 22110512522071667.13.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 22110512522071667.13.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 22110512522071667.13.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 22110512522071667 14 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 14 calculating perturbed structure for DQ=-100 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-80 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-60 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-40 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-20 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=0 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=20 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=40 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=60 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=80 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=100 22110512522071667.eigenfacs 22110512522071667.atom making animated gifs 11 models are in 22110512522071667.14.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 22110512522071667.14.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 22110512522071667.14.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 22110512522071667 15 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 15 calculating perturbed structure for DQ=-100 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-80 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-60 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-40 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-20 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=0 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=20 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=40 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=60 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=80 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=100 22110512522071667.eigenfacs 22110512522071667.atom making animated gifs 11 models are in 22110512522071667.15.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 22110512522071667.15.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 22110512522071667.15.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 22110512522071667 16 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 16 calculating perturbed structure for DQ=-100 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-80 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-60 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-40 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-20 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=0 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=20 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=40 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=60 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=80 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=100 22110512522071667.eigenfacs 22110512522071667.atom making animated gifs 11 models are in 22110512522071667.16.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 22110512522071667.16.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 22110512522071667.16.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 22110512522071667 17 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 17 calculating perturbed structure for DQ=-100 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-80 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-60 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-40 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-20 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=0 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=20 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=40 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=60 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=80 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=100 22110512522071667.eigenfacs 22110512522071667.atom making animated gifs 11 models are in 22110512522071667.17.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 22110512522071667.17.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 22110512522071667.17.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 22110512522071667 18 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 18 calculating perturbed structure for DQ=-100 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-80 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-60 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-40 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-20 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=0 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=20 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=40 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=60 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=80 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=100 22110512522071667.eigenfacs 22110512522071667.atom making animated gifs 11 models are in 22110512522071667.18.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 22110512522071667.18.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 22110512522071667.18.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 22110512522071667 19 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 19 calculating perturbed structure for DQ=-100 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-80 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-60 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-40 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-20 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=0 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=20 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=40 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=60 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=80 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=100 22110512522071667.eigenfacs 22110512522071667.atom making animated gifs 11 models are in 22110512522071667.19.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 22110512522071667.19.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 22110512522071667.19.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 22110512522071667 20 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 20 calculating perturbed structure for DQ=-100 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-80 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-60 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-40 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-20 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=0 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=20 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=40 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=60 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=80 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=100 22110512522071667.eigenfacs 22110512522071667.atom making animated gifs 11 models are in 22110512522071667.20.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 22110512522071667.20.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 22110512522071667.20.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 22110512522071667 21 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 21 calculating perturbed structure for DQ=-100 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-80 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-60 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-40 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-20 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=0 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=20 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=40 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=60 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=80 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=100 22110512522071667.eigenfacs 22110512522071667.atom making animated gifs 11 models are in 22110512522071667.21.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 22110512522071667.21.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 22110512522071667.21.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 22110512522071667 22 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 22 calculating perturbed structure for DQ=-100 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-80 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-60 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-40 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-20 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=0 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=20 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=40 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=60 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=80 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=100 22110512522071667.eigenfacs 22110512522071667.atom making animated gifs 11 models are in 22110512522071667.22.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 22110512522071667.22.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 22110512522071667.22.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 22110512522071667 23 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 23 calculating perturbed structure for DQ=-100 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-80 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-60 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-40 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-20 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=0 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=20 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=40 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=60 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=80 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=100 22110512522071667.eigenfacs 22110512522071667.atom making animated gifs 11 models are in 22110512522071667.23.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 22110512522071667.23.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 22110512522071667.23.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 22110512522071667 24 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 24 calculating perturbed structure for DQ=-100 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-80 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-60 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-40 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-20 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=0 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=20 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=40 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=60 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=80 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=100 22110512522071667.eigenfacs 22110512522071667.atom making animated gifs 11 models are in 22110512522071667.24.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 22110512522071667.24.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 22110512522071667.24.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 22110512522071667 25 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 25 calculating perturbed structure for DQ=-100 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-80 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-60 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-40 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-20 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=0 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=20 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=40 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=60 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=80 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=100 22110512522071667.eigenfacs 22110512522071667.atom making animated gifs 11 models are in 22110512522071667.25.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 22110512522071667.25.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 22110512522071667.25.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 22110512522071667 26 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 26 calculating perturbed structure for DQ=-100 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-80 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-60 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-40 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-20 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=0 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=20 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=40 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=60 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=80 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=100 22110512522071667.eigenfacs 22110512522071667.atom making animated gifs 11 models are in 22110512522071667.26.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 22110512522071667.26.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 22110512522071667.26.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 22110512522071667 27 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 27 calculating perturbed structure for DQ=-100 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-80 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-60 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-40 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-20 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=0 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=20 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=40 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=60 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=80 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=100 22110512522071667.eigenfacs 22110512522071667.atom making animated gifs 11 models are in 22110512522071667.27.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 22110512522071667.27.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 22110512522071667.27.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 22110512522071667 28 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 28 calculating perturbed structure for DQ=-100 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-80 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-60 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-40 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-20 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=0 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=20 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=40 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=60 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=80 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=100 22110512522071667.eigenfacs 22110512522071667.atom making animated gifs 11 models are in 22110512522071667.28.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 22110512522071667.28.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 22110512522071667.28.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 22110512522071667 29 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 29 calculating perturbed structure for DQ=-100 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-80 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-60 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-40 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-20 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=0 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=20 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=40 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=60 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=80 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=100 22110512522071667.eigenfacs 22110512522071667.atom making animated gifs 11 models are in 22110512522071667.29.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 22110512522071667.29.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 22110512522071667.29.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 22110512522071667 30 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 30 calculating perturbed structure for DQ=-100 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-80 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-60 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-40 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-20 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=0 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=20 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=40 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=60 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=80 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=100 22110512522071667.eigenfacs 22110512522071667.atom making animated gifs 11 models are in 22110512522071667.30.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 22110512522071667.30.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 22110512522071667.30.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 22110512522071667 31 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 31 calculating perturbed structure for DQ=-100 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-80 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-60 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-40 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=-20 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=0 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=20 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=40 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=60 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=80 22110512522071667.eigenfacs 22110512522071667.atom calculating perturbed structure for DQ=100 22110512522071667.eigenfacs 22110512522071667.atom making animated gifs 11 models are in 22110512522071667.31.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 22110512522071667.31.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 22110512522071667.31.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 22110512522071667.10.pdb 22110512522071667.11.pdb 22110512522071667.12.pdb 22110512522071667.13.pdb 22110512522071667.14.pdb 22110512522071667.15.pdb 22110512522071667.16.pdb 22110512522071667.17.pdb 22110512522071667.18.pdb 22110512522071667.19.pdb 22110512522071667.20.pdb 22110512522071667.21.pdb 22110512522071667.22.pdb 22110512522071667.23.pdb 22110512522071667.24.pdb 22110512522071667.25.pdb 22110512522071667.26.pdb 22110512522071667.27.pdb 22110512522071667.28.pdb 22110512522071667.29.pdb 22110512522071667.30.pdb 22110512522071667.31.pdb 22110512522071667.7.pdb 22110512522071667.8.pdb 22110512522071667.9.pdb STDERR: real 0m0.579s user 0m0.560s sys 0m0.020s pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file 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: October 18th, 2018.