Project dock1


Created by user: andy
Working directory: /home/andy/manual/ppdock
Date/time: 09-23-05 18:03:43
Type: protein-protein docking
Receptor setup Receptor object dock1_rec has been created and saved in the file dock1_rec.ob
Created from the object a_1sup., chain(s) m
Total number of : residues: 275,   atoms: 3837
Number of residues in the binding site: 0
Binding site selector:
none
Started: 09-23-05 18:03:43
Completed: 09-23-05 18:03:44
Total time, min: 0.02
Ligand setup Ligand object dock1_lig has been prepared and saved in the file dock1_lig.ob
Created from object a_2ci2., chains(s) i
Total number of residues: 65,   atoms: 1074
Started: 09-23-05 18:04:07
Completed: 09-23-05 18:04:08
Total time, min: 0.02
Map calculations GRID.maxVw : 1.00; Grid size : 0.50 A; grid energy terms: ge gc gh gs gb
No. of points in each map: 2457520; dimensions: 64.25 x 68.14 x 66.60A
Map statistics (units are kcal/mol)
TermMinMaxMeanRmsd
ge-20.0020.000.043.83
gc-3.171.000.100.39
gh-1.591.000.110.34
gs-1.000.00-0.060.18
gb-1.001.000.020.13
Started: 09-23-05 18:10:07
Completed: 09-23-05 18:16:00
Total time, min: 5.88
Grid docking Output object file: dock1_gd_1.ob
Number of starting ligand positions: 1
Number of initial ligand orientations: 1 x 6
Number of the conformations collected in the stack: 59
Reference object file: 2sni.ob
Started: 09-23-05 18:44:02
Completed: 09-23-05 18:45:46
Total time, min: 1.73
Grid docking Output object file: dock1_gd.ob
Number of starting ligand positions: 2
Number of initial ligand orientations: 1 x 6
Number of the conformations collected in the stack: 59
Reference object file: 2sni.ob
Started: 09-23-05 19:01:05
Completed: 09-23-05 19:01:05
Total time, min: 0.00
Grid docking Output object file: dock1_gd.ob
Number of starting ligand positions: 2
Number of initial ligand orientations: 1 x 6
Number of the conformations collected in the stack: 58
Reference object file: 2sni.ob
Started: 09-26-05 13:43:36
Completed: 09-26-05 13:43:36
Total time, min: 0.00