Package AutoDockTools :: Module GridParameters

Module GridParameters

Classes

GridParameters

GridParameterFileMaker
Accept a <ligand>.pdbq , <receptor>.pdbqs, reference.gpf and create <receptor>.gpf sets gridcenter to center of bounding box sets npts according to bounding box

GridParameter4FileMaker
Accept a <ligand>.pdbqt, <receptor>.pdbqt, reference4.gpf and create <receptor>4.gpf sets gridcenter to center of bounding box sets npts according to bounding box

Variables

[hide private]

grid_parameter_list = ['receptor', 'gridfld', 'npts', 'spacing', 'gridcent...

grid_parameter_list4 = ['npts', 'custom_parameter_file', 'gridfld', 'spacin...

Variables Details

[hide private]

grid_parameter_list

None

Value:

['receptor',
 'gridfld',
 'npts',
 'spacing',
 'gridcenter',
 'types',
 'smooth',
 'map',
...

grid_parameter_list4

None

Value:

['npts',
 'custom_parameter_file',
 'gridfld',
 'spacing',
 'receptor_types',
 'ligand_types',
 'receptor',
 'gridcenter',
...