Execution Time0.08s

Test: UNRES_M_DOCK_generator (Passed)
Build: devel Linux-gfortan-MPI E0LL2Y (m10) on 2023-05-25 03:47:08
Repository revision: 3d79e89922e83ded1dd9fe7689d30b45567bd6ef

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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:  0.25997415184974670       0.22981546819210052      -0.34312832355499268      -0.87284660339355469     
 Conformation           1 Is accepted after           3          13           1           1          38 attempts. Dist between CoM of previous=   16.541374999999999     
 Extr   15.778834244903964        8.9054801513581943        7.2834690793242212     
 Conformation will be saved to file:model02.pdb                                                 
 Rotation vector:   4.4487353414297104E-002 -0.12677571177482605       0.99058753252029419        2.6173710823059082E-002
 Conformation           2 Is accepted after           3           5           1           4          40 attempts. Dist between CoM of previous=   16.537405911865847     
 Extr   3.6134295780952734        26.078157541684110       0.10622744849204628     
 Conformation will be saved to file:model03.pdb                                                 
 Rotation vector: -0.56637805700302124      -0.79033154249191284        7.9122141003608704E-002 -0.21984434127807617     
 Conformation           3 Is accepted after           3           1           1           1           2 attempts. Dist between CoM of previous=   16.541374999999999     
 Extr   12.957817262378443        13.709915221212373        2.7626215067137676     
 Conformation will be saved to file:model04.pdb                                                 
 Rotation vector:  0.41096511483192444       -6.3632167875766754E-002 -0.50369065999984741      -0.75720167160034180     
 Conformation           4 Is accepted after           3           4           1           4          24 attempts. Dist between CoM of previous=   16.537405911865847     
 Extr   7.6660031501107628        1.7637010545511087        16.979062173782481     
 Conformation will be saved to file:model05.pdb                                                 
 Rotation vector: -0.48061668872833252       0.47199395298957825       0.46577793359756470      -0.57382941246032715     
 Conformation           5 Is accepted after           3           3           1           2           8 attempts. Dist between CoM of previous=   16.540051864787934     
 Extr   1.0256625766963494        1.3000248093251772        18.990014513495215     
 Conformation will be saved to file:model06.pdb                                                 
 Rotation vector:  0.17566192150115967      -0.50035279989242554       0.33749619126319885       0.77774435281753540     
 Conformation           6 Is accepted after           3           1           1           4           6 attempts. Dist between CoM of previous=   16.537405911865847     
 Extr   11.980369062547330        12.763760507927309        13.661540025850133     
 Conformation will be saved to file:model07.pdb                                                 
 Rotation vector: -0.48347696661949158      -0.56326270103454590      -0.16827887296676636      -0.64858877658843994     
 Conformation           7 Is accepted after           3           2           1          24          46 attempts. Dist between CoM of previous=   16.510969651854992     
 Extr   13.406383407771903        1.4128527443234828        8.3819069067168499     
 Conformation will be saved to file:model08.pdb                                                 
 Rotation vector: -0.47389367222785950       0.36194467544555664       0.76385205984115601      -0.24688220024108887     
 Conformation           8 Is accepted after           3           6           1         183         361 attempts. Dist between CoM of previous=   16.302299293349598     
 Extr   14.132978895466389        4.0263325221404047        9.3477753052917087     
8 starting models generated