Should you encounter any unexpected behaviour,
please let us know.

* 1HTM_unrelaxed_rank_001_alphafold2_ptm_model_3_seed_000 *

LOGs for ID: 240220085711142981

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     = 240220085711142981.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 240220085711142981.atom to be opened.

 Openam> File opened: 240220085711142981.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 =      5
            First residue number     =      1
            Last  residue number     =      5
            Number of atoms found    =     33
            Mean number per residue  =      6.6

 Pdbmat> Coordinate statistics: 
 =    10.128303 +/-     2.293725 From:     6.430000 To:    15.477000
 =     0.564364 +/-     2.792419 From:    -4.711000 To:     6.168000
 =    -1.719909 +/-     2.295424 From:    -6.906000 To:     2.135000
 Pdbmat> Masses are all set to one.

 Openam> File opened: pdbmat.xyzm
 Pdbmat> Coordinates and masses considered are saved.

 Openam> File opened: pdbmat.sdijb

 Pdbmat> Matrix statistics:

 Pdbmat> The matrix is  81.6162 % Filled.
 Pdbmat>         4040  non-zero elements.
 Pdbmat>          428 atom-atom interactions.

 Pdbmat> Number per atom=     25.94 +/-      4.53
         Maximum number =     32
         Minimum number =     17

 Pdbmat> Matrix trace   =  8560.00    
 Pdbmat> Larger element =  162.353    
 Pdbmat>      0 elements larger than +/-  1.0E+10

 Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
5 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     = 240220085711142981.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 240220085711142981.atom to be opened.

 Openam> file on opening on unit     11:
 240220085711142981.atom                                                                                                         

 Blocpdb> Coordinate file in PDB format.

 Blocpdb>    33 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>     5 residues.
 Blocpdb>     7 atoms in block      1
 Block first atom:      1
 Blocpdb>     8 atoms in block      2
 Block first atom:      8
 Blocpdb>     6 atoms in block      3
 Block first atom:     16
 Blocpdb>     8 atoms in block      4
 Block first atom:     22
 Blocpdb>     4 atoms in block      5
 Block first atom:     29

 Blocpdb>     5 blocks.

 Blocpdb> At most,      8 atoms in each of them.
 Blocpdb> At least,     4 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>        30 eigenvectors, only, can be determined.
 Diagrtb> Memory allocation for RTB_to_modes.

 Prepmat> Entering in.
 Prepmat> Rewriting of the matrix begins.

 Prepmat>         4045 matrix lines read.

 Prepmat> Matrix order    =         99

 Prepmat> Matrix trace    =       8560.0000
 Prepmat> Last element read:      99     99       121.0876
 Prepmat>           16 lines saved.
 Prepmat>            0 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:    33
 RTB> Total mass =          33.0000
 RTB> Number of atoms found in matrix:    33
 RTB> Number of blocks =     5
 RTB> Projection begins.
 RTB> Projected matrix is being saved.
 RTB> Projected matrix trace =    1804.1106
 RTB>       465 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 =       30
 Diagstd> Nb of non-zero elements:      465
 Diagstd> Projected matrix trace =    1804.1106

 Openam> file on opening on unit     11:
 diagrtb_work.eigenfacs                  
 Diagstd> Diagonalization.

 Diagstd>     30 eigenvectors are computed. 
 Diagstd>     30 of them to be saved. 

 Diagstd> Sum of eigenvalues =   1804.1106
 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      5.2860021     10.5245722     13.5499405     19.6359654
     23.3778763     26.8918055     36.0110122     37.3014706     41.6575394
     55.0234432     56.5430758     61.0004305     63.7606406     68.5272138
     71.8760553     89.8719741     94.0349534     95.8019059    106.1502401
    117.9886469    143.3028956    156.6435841    197.7644853    211.5848268

 Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
      0.0034339      0.0034339      0.0034339      0.0034340      0.0034340
      0.0034340    249.6657375    352.2877215    399.7274512    481.1953355
    525.0465494    563.1255870    651.6478171    663.2209822    700.8774500
    805.5067095    816.5541585    848.1286427    867.1048513    898.9319520
    920.6348216   1029.4551275   1053.0280435   1062.8753985   1118.8085350
   1179.5473808   1299.9383710   1359.1005429   1527.1068736   1579.5651396

 Diagstd> Normal end.

 Rtb_to_modes> Entering in.

 Rtb_to_modes> Number of atoms in temporary block-file =     33
 Rtb_to_modes> Number of blocs =      5

 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:  9.9996E-10

 Rdmodfacs> Eigenvector number:     2
 Rdmodfacs> Corresponding eigenvalue:  9.9998E-10

 Rdmodfacs> Eigenvector number:     3
 Rdmodfacs> Corresponding eigenvalue:  9.9999E-10

 Rdmodfacs> Eigenvector number:     4
 Rdmodfacs> Corresponding eigenvalue:  1.0000E-09

 Rdmodfacs> Eigenvector number:     5
 Rdmodfacs> Corresponding eigenvalue:  1.0000E-09

 Rdmodfacs> Eigenvector number:     6
 Rdmodfacs> Corresponding eigenvalue:  1.0000E-09

 Rdmodfacs> Eigenvector number:     7
 Rdmodfacs> Corresponding eigenvalue:   5.286    

 Rdmodfacs> Eigenvector number:     8
 Rdmodfacs> Corresponding eigenvalue:   10.52    

 Rdmodfacs> Eigenvector number:     9
 Rdmodfacs> Corresponding eigenvalue:   13.55    

 Rdmodfacs> Eigenvector number:    10
 Rdmodfacs> Corresponding eigenvalue:   19.64    

 Rdmodfacs> Eigenvector number:    11
 Rdmodfacs> Corresponding eigenvalue:   23.38    

 Rdmodfacs> Eigenvector number:    12
 Rdmodfacs> Corresponding eigenvalue:   26.89    

 Rdmodfacs> Eigenvector number:    13
 Rdmodfacs> Corresponding eigenvalue:   36.01    

 Rdmodfacs> Eigenvector number:    14
 Rdmodfacs> Corresponding eigenvalue:   37.30    

 Rdmodfacs> Eigenvector number:    15
 Rdmodfacs> Corresponding eigenvalue:   41.66    

 Rdmodfacs> Eigenvector number:    16
 Rdmodfacs> Corresponding eigenvalue:   55.02    

 Rdmodfacs> Eigenvector number:    17
 Rdmodfacs> Corresponding eigenvalue:   56.54    

 Rdmodfacs> Eigenvector number:    18
 Rdmodfacs> Corresponding eigenvalue:   61.00    

 Rdmodfacs> Eigenvector number:    19
 Rdmodfacs> Corresponding eigenvalue:   63.76    

 Rdmodfacs> Eigenvector number:    20
 Rdmodfacs> Corresponding eigenvalue:   68.53    

 Rdmodfacs> Eigenvector number:    21
 Rdmodfacs> Corresponding eigenvalue:   71.88    

 Rdmodfacs> Eigenvector number:    22
 Rdmodfacs> Corresponding eigenvalue:   89.87    

 Rdmodfacs> Eigenvector number:    23
 Rdmodfacs> Corresponding eigenvalue:   94.03    

 Rdmodfacs> Eigenvector number:    24
 Rdmodfacs> Corresponding eigenvalue:   95.80    

 Rdmodfacs> Eigenvector number:    25
 Rdmodfacs> Corresponding eigenvalue:   106.2    

 Rdmodfacs> Eigenvector number:    26
 Rdmodfacs> Corresponding eigenvalue:   118.0    

 Rdmodfacs> Eigenvector number:    27
 Rdmodfacs> Corresponding eigenvalue:   143.3    

 Rdmodfacs> Eigenvector number:    28
 Rdmodfacs> Corresponding eigenvalue:   156.6    

 Rdmodfacs> Eigenvector number:    29
 Rdmodfacs> Corresponding eigenvalue:   197.8    

 Rdmodfacs> Eigenvector number:    30
 Rdmodfacs> Corresponding eigenvalue:   211.6    

 Rtb_to_modes>   30 vectors, with     30 coordinates in vector file.

 Norm of eigenvectors in projected coordinates (one expected):
 0.99999 1.00010 0.99998 0.99995 1.00000
 1.00002 1.00003 1.00002 0.99998 1.00002
 0.99998 0.99998 0.99999 0.99999 1.00000
 1.00000 1.00003 1.00005 1.00001 0.99999
 0.99997 0.99996 1.00002 0.99997 0.99998
 1.00003 1.00003 0.99998 0.99999 1.00007

 Rtb_to_modes> RTB block-file is being read.
 Rtb_to_modes>      594 lines found in RTB file.

 Norm of eigenvectors in cartesian coordinates (one expected):
 0.99999 1.00010 0.99998 0.99995 1.00000
 1.00002 1.00003 1.00002 0.99998 1.00002
 0.99998 0.99998 0.99999 0.99999 1.00000
 1.00000 1.00003 1.00005 1.00001 0.99999
 0.99997 0.99996 1.00002 0.99997 0.99998
 1.00003 1.00003 0.99998 0.99999 1.00007

 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>    30 eigenvectors saved.

 Rtb_to_modes> Normal end.

 Diagrtb> Normal end.
B-factor analysis
 Bfactors> Version 1.22, Bordeaux.                
 Getnam> Eigenvector filename ?
 Getnam> 240220085711142981.eigenfacs

 Openam> file on opening on unit     10:
 240220085711142981.eigenfacs                                    
 Getnam> Corresponding pdb filename ?
 Getnam> 240220085711142981.atom

 Openam> file on opening on unit     11:
 240220085711142981.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 =      5
            First residue number     =      1
            Last  residue number     =      5
            Number of atoms found    =     33
            Mean number per residue  =      6.6

 Rdmodfacs> Old Blzpack file format detected.

 Rdmodfacs> Numero du vecteur CERFACS en lecture:     1
 Rdmodfacs> Valeur propre du vecteur en lecture:  9.9996E-10

 Rdmodfacs> Numero du vecteur CERFACS en lecture:     2
 Rdmodfacs> Valeur propre du vecteur en lecture:  9.9998E-10

 Rdmodfacs> Numero du vecteur CERFACS en lecture:     3
 Rdmodfacs> Valeur propre du vecteur en lecture:  9.9999E-10

 Rdmodfacs> Numero du vecteur CERFACS en lecture:     4
 Rdmodfacs> Valeur propre du vecteur en lecture:  1.0000E-09

 Rdmodfacs> Numero du vecteur CERFACS en lecture:     5
 Rdmodfacs> Valeur propre du vecteur en lecture:  1.0000E-09

 Rdmodfacs> Numero du vecteur CERFACS en lecture:     6
 Rdmodfacs> Valeur propre du vecteur en lecture:  1.0000E-09

 Rdmodfacs> Numero du vecteur CERFACS en lecture:     7
 Rdmodfacs> Valeur propre du vecteur en lecture:   5.286    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:     8
 Rdmodfacs> Valeur propre du vecteur en lecture:   10.52    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:     9
 Rdmodfacs> Valeur propre du vecteur en lecture:   13.55    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    10
 Rdmodfacs> Valeur propre du vecteur en lecture:   19.64    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    11
 Rdmodfacs> Valeur propre du vecteur en lecture:   23.38    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    12
 Rdmodfacs> Valeur propre du vecteur en lecture:   26.89    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    13
 Rdmodfacs> Valeur propre du vecteur en lecture:   36.01    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    14
 Rdmodfacs> Valeur propre du vecteur en lecture:   37.30    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    15
 Rdmodfacs> Valeur propre du vecteur en lecture:   41.66    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    16
 Rdmodfacs> Valeur propre du vecteur en lecture:   55.02    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    17
 Rdmodfacs> Valeur propre du vecteur en lecture:   56.54    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    18
 Rdmodfacs> Valeur propre du vecteur en lecture:   61.00    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    19
 Rdmodfacs> Valeur propre du vecteur en lecture:   63.76    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    20
 Rdmodfacs> Valeur propre du vecteur en lecture:   68.53    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    21
 Rdmodfacs> Valeur propre du vecteur en lecture:   71.88    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    22
 Rdmodfacs> Valeur propre du vecteur en lecture:   89.87    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    23
 Rdmodfacs> Valeur propre du vecteur en lecture:   94.03    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    24
 Rdmodfacs> Valeur propre du vecteur en lecture:   95.80    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    25
 Rdmodfacs> Valeur propre du vecteur en lecture:   106.2    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    26
 Rdmodfacs> Valeur propre du vecteur en lecture:   118.0    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    27
 Rdmodfacs> Valeur propre du vecteur en lecture:   143.3    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    28
 Rdmodfacs> Valeur propre du vecteur en lecture:   156.6    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    29
 Rdmodfacs> Valeur propre du vecteur en lecture:   197.8    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    30
 Rdmodfacs> Valeur propre du vecteur en lecture:   211.6    

 Bfactors>   30 vectors,     99 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  :     5.286000
 Bfactors>    24 eigenvectors will be considered.
 Bfactors> Rotation-Tranlation modes are skipped.

 Bfactors> Mass-weighted B-factors are computed.
          (CHARMM units assumed for eigenvalues)

 Bfactors> Correlation=     -0.847 for      5 C-alpha atoms.
 Bfactors> =      0.265 +/-   0.26
 Bfactors> =     71.602 +/-   3.22
 Bfactors> Shiftng-fct=     71.337
 Bfactors> Scaling-fct=     12.230

 Bfactors> Predicted, Scaled and Experimental B-factors are saved.

 Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 240220085711142981 7 -100 100 20 0 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=-80
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=-60
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=-40
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=-20
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=0
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=20
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=40
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=60
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=80
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=100
240220085711142981.eigenfacs
240220085711142981.atom
getting mode 8
running: ../../bin/get_modes.sh 240220085711142981 8 -100 100 20 0 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=-80
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=-60
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=-40
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=-20
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=0
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=20
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=40
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=60
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=80
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=100
240220085711142981.eigenfacs
240220085711142981.atom
getting mode 9
running: ../../bin/get_modes.sh 240220085711142981 9 -100 100 20 0 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=-80
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=-60
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=-40
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=-20
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=0
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=20
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=40
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=60
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=80
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=100
240220085711142981.eigenfacs
240220085711142981.atom
getting mode 10
running: ../../bin/get_modes.sh 240220085711142981 10 -100 100 20 0 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=-80
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=-60
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=-40
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=-20
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=0
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=20
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=40
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=60
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=80
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=100
240220085711142981.eigenfacs
240220085711142981.atom
getting mode 11
running: ../../bin/get_modes.sh 240220085711142981 11 -100 100 20 0 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=-80
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=-60
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=-40
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=-20
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=0
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=20
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=40
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=60
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=80
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=100
240220085711142981.eigenfacs
240220085711142981.atom
getting mode 12
running: ../../bin/get_modes.sh 240220085711142981 12 -100 100 20 0 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=-80
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=-60
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=-40
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=-20
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=0
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=20
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=40
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=60
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=80
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=100
240220085711142981.eigenfacs
240220085711142981.atom
getting mode 13
running: ../../bin/get_modes.sh 240220085711142981 13 -100 100 20 0 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=-80
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=-60
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=-40
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=-20
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=0
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=20
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=40
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=60
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=80
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=100
240220085711142981.eigenfacs
240220085711142981.atom
getting mode 14
running: ../../bin/get_modes.sh 240220085711142981 14 -100 100 20 0 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=-80
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=-60
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=-40
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=-20
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=0
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=20
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=40
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=60
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=80
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=100
240220085711142981.eigenfacs
240220085711142981.atom
getting mode 15
running: ../../bin/get_modes.sh 240220085711142981 15 -100 100 20 0 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=-80
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=-60
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=-40
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=-20
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=0
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=20
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=40
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=60
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=80
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=100
240220085711142981.eigenfacs
240220085711142981.atom
getting mode 16
running: ../../bin/get_modes.sh 240220085711142981 16 -100 100 20 0 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=-80
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=-60
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=-40
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=-20
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=0
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=20
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=40
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=60
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=80
240220085711142981.eigenfacs
240220085711142981.atom
calculating perturbed structure for DQ=100
240220085711142981.eigenfacs
240220085711142981.atom
240220085711142981.10.pdb
240220085711142981.11.pdb
240220085711142981.12.pdb
240220085711142981.13.pdb
240220085711142981.14.pdb
240220085711142981.15.pdb
240220085711142981.16.pdb
240220085711142981.7.pdb
240220085711142981.8.pdb
240220085711142981.9.pdb



STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL

real	0m0.013s
user	0m0.008s
sys	0m0.004s
../../bin/check_modes: error while loading shared libraries: libgfortran.so.3: cannot open shared object file: No such file or directory
mv: cannot stat 'Chkmod.res': No such file or directory
cat: 240220085711142981.Chkmod.res: No such file or directory
If you find results from this site helpful for your research, please cite one of our papers:
K. Suhre & Y.H. Sanejouand, ElNemo: a normal mode web-server for protein movement analysis and the generation of templates for molecular replacement. Nucleic Acids Research, 32, W610-W614, 2004.
K. Suhre & Y.H. Sanejouand, On the potential of normal mode analysis for solving difficult molecular replacement problems. Acta Cryst. D vol.60, p796-799, 2004 © International Union of Crystallography.
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.
Should you encounter any unexpected behaviour, please let us know.

*** 1HTM_unrelaxed_rank_001_alphafold2_ptm_model_3_seed_000 ***

LOGs for ID: 240220085711142981

output from eigenvector calculation:

Should you encounter any unexpected behaviour,
please let us know.

* 1HTM_unrelaxed_rank_001_alphafold2_ptm_model_3_seed_000 *
