Execution Time0.10s

Test: UNRES_M_DOCK_generator (Passed)
Build: devel Linux-gfortan-MPI NEWCORR (m10) on 2023-05-29 03:47:53
Repository revision: 3d79e89922e83ded1dd9fe7689d30b45567bd6ef

Processors[Graph]1

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Test output
 All files read
 Option           0 selected                                       (0 for protein, 1 for peptide)
 Molecule 1 read
 Molecule 2 read
 Molecule 1 calculated
 Chain 1 is starting from Gly GLY           1
 How many dummy atoms:           3
 
 Molecule 2 calculated
 Number of atoms:         161         173
 Min and max coordinates in the systems
    1.81   23.30   -7.36   17.50    5.07   21.71
   -2.36   16.81   -9.62   15.28   -1.31   23.95
 Distances in axes x, y, z
   21.49   24.86   16.65
   19.17   24.90   25.26
 Maximum distances:
   28.266671080974497        29.868445992384672     
 Boxsize (suggested)
   89.762143260129406     
 Center of masses:
    0.00   -0.00    0.00
   -0.00    0.00    0.00
 Center of masses atoms:
ATOM     38  SG  CYS     6      -0.137  -2.253  -0.293
ATOM    255  N   LEU    14      -1.444   0.310  -0.206
 Number of amino-acid residues in two proteins:
          22          24
 Original number of the first residue in                           the first protein:
           1
 Correction of the first residue in the first protein:
           1
 Rotation space (+/-):   28.930722996192337        30.614222996192336        26.508222996192337     
 Conformation will be saved to file:model01.pdb                                                 
 Initial minimum distance between centers of mass:   16.541374999999999     
 Rotation vector:   7.5350195169448853E-002  -4.8749979585409164E-002  0.11488569527864456      -0.98931646347045898     
 Conformation           1 Is accepted after           3           8           1           1          23 attempts. Dist between CoM of previous=   16.541374999999999     
 Extr   4.6337947811961211        10.480326891628916        8.3798718496955296     
 Conformation will be saved to file:model02.pdb                                                 
 Rotation vector:   5.3512267768383026E-002  0.57566791772842407      -0.64955914020538330       0.49377715587615967     
 Conformation           2 Is accepted after           3           1           1           1           5 attempts. Dist between CoM of previous=   16.541374999999999     
 Extr   11.398058029111384        12.013394158492321       0.79819739616563057     
 Conformation will be saved to file:model03.pdb                                                 
 Rotation vector:  0.51342946290969849      -0.40641844272613525      -0.72298574447631836       0.22024047374725342     
 Conformation           3 Is accepted after           3           4           1           6          17 attempts. Dist between CoM of previous=   16.534760382223379     
 Extr   8.7530545614423989        7.0466001427135465        22.707090403316396     
 Conformation will be saved to file:model04.pdb                                                 
 Rotation vector:  0.34528350830078125       0.23832431435585022       -8.6202077567577362E-002 -0.90363156795501709     
 Conformation           4 Is accepted after           3           4           1          12          48 attempts. Dist between CoM of previous=   16.526826332296622     
 Extr   14.163852650952622        5.6508270573301660        13.247311121217450     
 Conformation will be saved to file:model05.pdb                                                 
 Rotation vector:  0.84592157602310181       0.48746404051780701       0.20356252789497375        7.3196470737457275E-002
 Conformation           5 Is accepted after           3           4           1          31          77 attempts. Dist between CoM of previous=   16.501726948308935     
 Extr   20.164521567467379        10.904588539300779        8.7874773389295981     
 Conformation will be saved to file:model06.pdb                                                 
 Rotation vector: -0.52469849586486816       0.26228791475296021       0.59287077188491821       0.55172532796859741     
 Conformation           6 Is accepted after           3           1           1          19          40 attempts. Dist between CoM of previous=   16.517574752312676     
 Extr   6.2891412583256372        23.246758833390444        8.0730712035985412     
 Conformation will be saved to file:model07.pdb                                                 
 Rotation vector: -0.65576124191284180      -0.55950880050659180      -0.30901855230331421       0.40178930759429932     
 Conformation           7 Is accepted after           3           8           1          48          94 attempts. Dist between CoM of previous=   16.479301917499772     
 Extr   18.317145297501202        7.0249951040542777        13.652123147086851     
 Conformation will be saved to file:model08.pdb                                                 
 Rotation vector:  0.55945277214050293       0.65774559974670410        5.9493381530046463E-002 -0.50084316730499268     
 Conformation           8 Is accepted after           3           6           1          39          77 attempts. Dist between CoM of previous=   16.491170193869358     
 Extr   12.107312895426857        16.174101262293927        5.9372851797702149     
8 starting models generated