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

* EXP_1Q9C_unrelaxed_rank_001_alphafold2_ptm_model_4_seed_000 *

LOGs for ID: 24021912482947563

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     = 24021912482947563.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 24021912482947563.atom to be opened.

 Openam> File opened: 24021912482947563.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 =      8
            First residue number     =      1
            Last  residue number     =      8
            Number of atoms found    =     70
            Mean number per residue  =      8.8

 Pdbmat> Coordinate statistics: 
 =     5.066686 +/-     4.950572 From:    -2.971000 To:    14.195000
 =    -3.410971 +/-     2.207315 From:    -9.031000 To:     1.309000
 =     3.096329 +/-     5.091087 From:    -4.840000 To:    12.586000
 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  46.9646 % Filled.
 Pdbmat>        10405  non-zero elements.
 Pdbmat>         1110 atom-atom interactions.

 Pdbmat> Number per atom=     31.71 +/-      6.98
         Maximum number =     44
         Minimum number =     18

 Pdbmat> Matrix trace   =  22200.0    
 Pdbmat> Larger element =  213.243    
 Pdbmat>      0 elements larger than +/-  1.0E+10

 Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
8 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     = 24021912482947563.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 24021912482947563.atom to be opened.

 Openam> file on opening on unit     11:
 24021912482947563.atom                                                                                                          

 Blocpdb> Coordinate file in PDB format.

 Blocpdb>    70 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>     8 residues.
 Blocpdb>    11 atoms in block      1
 Block first atom:      1
 Blocpdb>    10 atoms in block      2
 Block first atom:     12
 Blocpdb>     9 atoms in block      3
 Block first atom:     22
 Blocpdb>     8 atoms in block      4
 Block first atom:     31
 Blocpdb>     7 atoms in block      5
 Block first atom:     39
 Blocpdb>     9 atoms in block      6
 Block first atom:     46
 Blocpdb>     8 atoms in block      7
 Block first atom:     55
 Blocpdb>     8 atoms in block      8
 Block first atom:     62

 Blocpdb>     8 blocks.

 Blocpdb> At most,     11 atoms in each of them.
 Blocpdb> At least,     7 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>        48 eigenvectors, only, can be determined.
 Diagrtb> Memory allocation for RTB_to_modes.

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

 Prepmat>        10413 matrix lines read.

 Prepmat> Matrix order    =        210

 Prepmat> Matrix trace    =      22200.0000
 Prepmat> Last element read:     210    210        51.8872
 Prepmat>           37 lines saved.
 Prepmat>           10 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:    70
 RTB> Total mass =          70.0000
 RTB> Number of atoms found in matrix:    70
 RTB> Number of blocks =     8
 RTB> Projection begins.
 RTB> Projected matrix is being saved.
 RTB> Projected matrix trace =    3636.7717
 RTB>       816 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 =       48
 Diagstd> Nb of non-zero elements:      816
 Diagstd> Projected matrix trace =    3636.7717

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

 Diagstd>     48 eigenvectors are computed. 
 Diagstd>     48 of them to be saved. 

 Diagstd> Sum of eigenvalues =   3636.7717
 Diagstd> Best zero-eigenvalue found  :     0.000000

 Diagstd>      6 zero-eigenvalues, that is, below or equal to:    0.0000000

 Diagstd> Selected eigenvalues: 
      0.0000000      0.0000000      0.0000000      0.0000000      0.0000000
      0.0000000      0.7175580      1.7350233      3.1791784      7.4341096
     10.9504364     13.1613347     14.8369449     20.0445437     22.8467004
     23.9171649     29.4054638     34.9191067     39.7866325     44.0857656
     46.7983457     49.3946975     53.2495984     54.6318098     59.0031393
     61.0783542     64.9401175     73.1183300     79.2624413     83.0647124
     84.3119279     87.7616901     93.8509048    101.3604208    106.8510713
    108.9875829    114.3961834    120.9476995    132.5650984    138.5428812
    151.1945749    158.8635452    168.2067853    186.4945331    210.2059141
    224.4442343    267.1818199    289.0433217

 Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
      0.0034338      0.0034339      0.0034339      0.0034339      0.0034340
      0.0034340     91.9864321    143.0368509    193.6211197    296.0804683
    359.3444926    393.9537580    418.2804080    486.1758329    519.0474045
    531.0679944    588.8562615    641.6923222    684.9578880    721.0152888
    742.8660838    763.1948753    792.4163878    802.6349636    834.1282688
    848.6701818    875.0881747    928.5566661    966.7829944    989.6999840
    997.1024661   1017.2970132   1051.9970262   1093.2751652   1122.4957896
   1133.6625254   1161.4514164   1194.2468006   1250.2874719   1278.1663736
   1335.2524529   1368.6972833   1408.3708763   1482.9562305   1574.4096594
   1626.8574745   1775.0015316   1846.1915125

 Diagstd> Normal end.

 Rtb_to_modes> Entering in.

 Rtb_to_modes> Number of atoms in temporary block-file =     70
 Rtb_to_modes> Number of blocs =      8

 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:  9.9989E-10

 Rdmodfacs> Eigenvector number:     2
 Rdmodfacs> Corresponding eigenvalue:  9.9997E-10

 Rdmodfacs> Eigenvector number:     3
 Rdmodfacs> Corresponding eigenvalue:  9.9998E-10

 Rdmodfacs> Eigenvector number:     4
 Rdmodfacs> Corresponding eigenvalue:  9.9999E-10

 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:  0.7176    

 Rdmodfacs> Eigenvector number:     8
 Rdmodfacs> Corresponding eigenvalue:   1.735    

 Rdmodfacs> Eigenvector number:     9
 Rdmodfacs> Corresponding eigenvalue:   3.179    

 Rdmodfacs> Eigenvector number:    10
 Rdmodfacs> Corresponding eigenvalue:   7.434    

 Rdmodfacs> Eigenvector number:    11
 Rdmodfacs> Corresponding eigenvalue:   10.95    

 Rdmodfacs> Eigenvector number:    12
 Rdmodfacs> Corresponding eigenvalue:   13.16    

 Rdmodfacs> Eigenvector number:    13
 Rdmodfacs> Corresponding eigenvalue:   14.84    

 Rdmodfacs> Eigenvector number:    14
 Rdmodfacs> Corresponding eigenvalue:   20.04    

 Rdmodfacs> Eigenvector number:    15
 Rdmodfacs> Corresponding eigenvalue:   22.85    

 Rdmodfacs> Eigenvector number:    16
 Rdmodfacs> Corresponding eigenvalue:   23.92    

 Rdmodfacs> Eigenvector number:    17
 Rdmodfacs> Corresponding eigenvalue:   29.41    

 Rdmodfacs> Eigenvector number:    18
 Rdmodfacs> Corresponding eigenvalue:   34.92    

 Rdmodfacs> Eigenvector number:    19
 Rdmodfacs> Corresponding eigenvalue:   39.79    

 Rdmodfacs> Eigenvector number:    20
 Rdmodfacs> Corresponding eigenvalue:   44.09    

 Rdmodfacs> Eigenvector number:    21
 Rdmodfacs> Corresponding eigenvalue:   46.80    

 Rdmodfacs> Eigenvector number:    22
 Rdmodfacs> Corresponding eigenvalue:   49.39    

 Rdmodfacs> Eigenvector number:    23
 Rdmodfacs> Corresponding eigenvalue:   53.25    

 Rdmodfacs> Eigenvector number:    24
 Rdmodfacs> Corresponding eigenvalue:   54.63    

 Rdmodfacs> Eigenvector number:    25
 Rdmodfacs> Corresponding eigenvalue:   59.00    

 Rdmodfacs> Eigenvector number:    26
 Rdmodfacs> Corresponding eigenvalue:   61.08    

 Rdmodfacs> Eigenvector number:    27
 Rdmodfacs> Corresponding eigenvalue:   64.94    

 Rdmodfacs> Eigenvector number:    28
 Rdmodfacs> Corresponding eigenvalue:   73.12    

 Rdmodfacs> Eigenvector number:    29
 Rdmodfacs> Corresponding eigenvalue:   79.26    

 Rdmodfacs> Eigenvector number:    30
 Rdmodfacs> Corresponding eigenvalue:   83.06    

 Rdmodfacs> Eigenvector number:    31
 Rdmodfacs> Corresponding eigenvalue:   84.31    

 Rdmodfacs> Eigenvector number:    32
 Rdmodfacs> Corresponding eigenvalue:   87.76    

 Rdmodfacs> Eigenvector number:    33
 Rdmodfacs> Corresponding eigenvalue:   93.85    

 Rdmodfacs> Eigenvector number:    34
 Rdmodfacs> Corresponding eigenvalue:   101.4    

 Rdmodfacs> Eigenvector number:    35
 Rdmodfacs> Corresponding eigenvalue:   106.9    

 Rdmodfacs> Eigenvector number:    36
 Rdmodfacs> Corresponding eigenvalue:   109.0    

 Rdmodfacs> Eigenvector number:    37
 Rdmodfacs> Corresponding eigenvalue:   114.4    

 Rdmodfacs> Eigenvector number:    38
 Rdmodfacs> Corresponding eigenvalue:   120.9    

 Rdmodfacs> Eigenvector number:    39
 Rdmodfacs> Corresponding eigenvalue:   132.6    

 Rdmodfacs> Eigenvector number:    40
 Rdmodfacs> Corresponding eigenvalue:   138.5    

 Rdmodfacs> Eigenvector number:    41
 Rdmodfacs> Corresponding eigenvalue:   151.2    

 Rdmodfacs> Eigenvector number:    42
 Rdmodfacs> Corresponding eigenvalue:   158.9    

 Rdmodfacs> Eigenvector number:    43
 Rdmodfacs> Corresponding eigenvalue:   168.2    

 Rdmodfacs> Eigenvector number:    44
 Rdmodfacs> Corresponding eigenvalue:   186.5    

 Rdmodfacs> Eigenvector number:    45
 Rdmodfacs> Corresponding eigenvalue:   210.2    

 Rdmodfacs> Eigenvector number:    46
 Rdmodfacs> Corresponding eigenvalue:   224.4    

 Rdmodfacs> Eigenvector number:    47
 Rdmodfacs> Corresponding eigenvalue:   267.2    

 Rdmodfacs> Eigenvector number:    48
 Rdmodfacs> Corresponding eigenvalue:   289.0    

 Rtb_to_modes>   48 vectors, with     48 coordinates in vector file.

 Norm of eigenvectors in projected coordinates (one expected):
 0.99993 1.00000 1.00002 1.00002 0.99995
 0.99995 1.00001 1.00004 1.00002 1.00003
 1.00001 1.00003 1.00000 1.00001 0.99995
 1.00001 0.99997 1.00004 0.99995 0.99996
 0.99999 1.00001 1.00000 0.99998 1.00003
 1.00004 0.99996 1.00000 0.99997 0.99998
 1.00002 1.00001 0.99996 1.00000 0.99997
 1.00003 0.99998 1.00003 1.00002 0.99997
 1.00000 1.00002 1.00004 1.00001 0.99999
 1.00000 1.00007 0.99995

 Rtb_to_modes> RTB block-file is being read.
 Rtb_to_modes>     1260 lines found in RTB file.

 Norm of eigenvectors in cartesian coordinates (one expected):
 0.99993 1.00000 1.00002 1.00002 0.99995
 0.99995 1.00001 1.00004 1.00002 1.00003
 1.00001 1.00003 1.00000 1.00001 0.99995
 1.00001 0.99997 1.00004 0.99995 0.99996
 0.99999 1.00001 1.00000 0.99998 1.00003
 1.00004 0.99996 1.00000 0.99997 0.99998
 1.00002 1.00001 0.99996 1.00000 0.99997
 1.00003 0.99998 1.00003 1.00002 0.99997
 1.00000 1.00002 1.00004 1.00001 0.99999
 1.00000 1.00007 0.99995

 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>    48 eigenvectors saved.

 Rtb_to_modes> Normal end.

 Diagrtb> Normal end.
B-factor analysis
 Bfactors> Version 1.22, Bordeaux.                
 Getnam> Eigenvector filename ?
 Getnam> 24021912482947563.eigenfacs

 Openam> file on opening on unit     10:
 24021912482947563.eigenfacs                                     
 Getnam> Corresponding pdb filename ?
 Getnam> 24021912482947563.atom

 Openam> file on opening on unit     11:
 24021912482947563.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 =      8
            First residue number     =      1
            Last  residue number     =      8
            Number of atoms found    =     70
            Mean number per residue  =      8.8

 Rdmodfacs> Old Blzpack file format detected.

 Rdmodfacs> Numero du vecteur CERFACS en lecture:     1
 Rdmodfacs> Valeur propre du vecteur en lecture:  9.9989E-10

 Rdmodfacs> Numero du vecteur CERFACS en lecture:     2
 Rdmodfacs> Valeur propre du vecteur en lecture:  9.9997E-10

 Rdmodfacs> Numero du vecteur CERFACS en lecture:     3
 Rdmodfacs> Valeur propre du vecteur en lecture:  9.9998E-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:  1.0000E-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:  0.7176    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:     8
 Rdmodfacs> Valeur propre du vecteur en lecture:   1.735    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:     9
 Rdmodfacs> Valeur propre du vecteur en lecture:   3.179    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    10
 Rdmodfacs> Valeur propre du vecteur en lecture:   7.434    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    11
 Rdmodfacs> Valeur propre du vecteur en lecture:   10.95    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    12
 Rdmodfacs> Valeur propre du vecteur en lecture:   13.16    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    13
 Rdmodfacs> Valeur propre du vecteur en lecture:   14.84    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    14
 Rdmodfacs> Valeur propre du vecteur en lecture:   20.04    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    15
 Rdmodfacs> Valeur propre du vecteur en lecture:   22.85    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    16
 Rdmodfacs> Valeur propre du vecteur en lecture:   23.92    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    17
 Rdmodfacs> Valeur propre du vecteur en lecture:   29.41    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    18
 Rdmodfacs> Valeur propre du vecteur en lecture:   34.92    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    19
 Rdmodfacs> Valeur propre du vecteur en lecture:   39.79    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    20
 Rdmodfacs> Valeur propre du vecteur en lecture:   44.09    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    21
 Rdmodfacs> Valeur propre du vecteur en lecture:   46.80    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    22
 Rdmodfacs> Valeur propre du vecteur en lecture:   49.39    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    23
 Rdmodfacs> Valeur propre du vecteur en lecture:   53.25    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    24
 Rdmodfacs> Valeur propre du vecteur en lecture:   54.63    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    25
 Rdmodfacs> Valeur propre du vecteur en lecture:   59.00    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    26
 Rdmodfacs> Valeur propre du vecteur en lecture:   61.08    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    27
 Rdmodfacs> Valeur propre du vecteur en lecture:   64.94    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    28
 Rdmodfacs> Valeur propre du vecteur en lecture:   73.12    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    29
 Rdmodfacs> Valeur propre du vecteur en lecture:   79.26    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    30
 Rdmodfacs> Valeur propre du vecteur en lecture:   83.06    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    31
 Rdmodfacs> Valeur propre du vecteur en lecture:   84.31    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    32
 Rdmodfacs> Valeur propre du vecteur en lecture:   87.76    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    33
 Rdmodfacs> Valeur propre du vecteur en lecture:   93.85    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    34
 Rdmodfacs> Valeur propre du vecteur en lecture:   101.4    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    35
 Rdmodfacs> Valeur propre du vecteur en lecture:   106.9    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    36
 Rdmodfacs> Valeur propre du vecteur en lecture:   109.0    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    37
 Rdmodfacs> Valeur propre du vecteur en lecture:   114.4    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    38
 Rdmodfacs> Valeur propre du vecteur en lecture:   120.9    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    39
 Rdmodfacs> Valeur propre du vecteur en lecture:   132.6    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    40
 Rdmodfacs> Valeur propre du vecteur en lecture:   138.5    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    41
 Rdmodfacs> Valeur propre du vecteur en lecture:   151.2    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    42
 Rdmodfacs> Valeur propre du vecteur en lecture:   158.9    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    43
 Rdmodfacs> Valeur propre du vecteur en lecture:   168.2    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    44
 Rdmodfacs> Valeur propre du vecteur en lecture:   186.5    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    45
 Rdmodfacs> Valeur propre du vecteur en lecture:   210.2    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    46
 Rdmodfacs> Valeur propre du vecteur en lecture:   224.4    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    47
 Rdmodfacs> Valeur propre du vecteur en lecture:   267.2    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    48
 Rdmodfacs> Valeur propre du vecteur en lecture:   289.0    

 Bfactors>   48 vectors,    210 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  :     0.717600
 Bfactors>    42 eigenvectors will be considered.
 Bfactors> Rotation-Tranlation modes are skipped.

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

 Bfactors> Correlation=     -0.219 for      8 C-alpha atoms.
 Bfactors> =      0.404 +/-   0.17
 Bfactors> =     76.101 +/-   4.02
 Bfactors> Shiftng-fct=     75.697
 Bfactors> Scaling-fct=     23.101

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

 Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 24021912482947563 7 -100 100 20 0 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=-80
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=-60
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=-40
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=-20
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=0
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=20
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=40
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=60
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=80
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=100
24021912482947563.eigenfacs
24021912482947563.atom
getting mode 8
running: ../../bin/get_modes.sh 24021912482947563 8 -100 100 20 0 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=-80
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=-60
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=-40
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=-20
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=0
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=20
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=40
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=60
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=80
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=100
24021912482947563.eigenfacs
24021912482947563.atom
getting mode 9
running: ../../bin/get_modes.sh 24021912482947563 9 -100 100 20 0 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=-80
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=-60
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=-40
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=-20
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=0
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=20
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=40
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=60
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=80
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=100
24021912482947563.eigenfacs
24021912482947563.atom
getting mode 10
running: ../../bin/get_modes.sh 24021912482947563 10 -100 100 20 0 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=-80
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=-60
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=-40
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=-20
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=0
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=20
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=40
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=60
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=80
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=100
24021912482947563.eigenfacs
24021912482947563.atom
getting mode 11
running: ../../bin/get_modes.sh 24021912482947563 11 -100 100 20 0 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=-80
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=-60
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=-40
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=-20
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=0
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=20
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=40
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=60
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=80
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=100
24021912482947563.eigenfacs
24021912482947563.atom
getting mode 12
running: ../../bin/get_modes.sh 24021912482947563 12 -100 100 20 0 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=-80
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=-60
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=-40
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=-20
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=0
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=20
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=40
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=60
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=80
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=100
24021912482947563.eigenfacs
24021912482947563.atom
getting mode 13
running: ../../bin/get_modes.sh 24021912482947563 13 -100 100 20 0 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=-80
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=-60
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=-40
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=-20
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=0
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=20
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=40
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=60
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=80
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=100
24021912482947563.eigenfacs
24021912482947563.atom
getting mode 14
running: ../../bin/get_modes.sh 24021912482947563 14 -100 100 20 0 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=-80
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=-60
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=-40
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=-20
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=0
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=20
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=40
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=60
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=80
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=100
24021912482947563.eigenfacs
24021912482947563.atom
getting mode 15
running: ../../bin/get_modes.sh 24021912482947563 15 -100 100 20 0 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=-80
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=-60
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=-40
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=-20
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=0
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=20
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=40
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=60
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=80
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=100
24021912482947563.eigenfacs
24021912482947563.atom
getting mode 16
running: ../../bin/get_modes.sh 24021912482947563 16 -100 100 20 0 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=-80
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=-60
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=-40
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=-20
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=0
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=20
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=40
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=60
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=80
24021912482947563.eigenfacs
24021912482947563.atom
calculating perturbed structure for DQ=100
24021912482947563.eigenfacs
24021912482947563.atom
24021912482947563.10.pdb
24021912482947563.11.pdb
24021912482947563.12.pdb
24021912482947563.13.pdb
24021912482947563.14.pdb
24021912482947563.15.pdb
24021912482947563.16.pdb
24021912482947563.7.pdb
24021912482947563.8.pdb
24021912482947563.9.pdb



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

real	0m0.029s
user	0m0.025s
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: 24021912482947563.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.

*** EXP_1Q9C_unrelaxed_rank_001_alphafold2_ptm_model_4_seed_000 ***

LOGs for ID: 24021912482947563

output from eigenvector calculation:

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

* EXP_1Q9C_unrelaxed_rank_001_alphafold2_ptm_model_4_seed_000 *
