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src/p/y/Pymol-script-repo-HEAD/modules/ADT/AutoDockTools/Utilities24/prepare_gpf4.py   Pymol-script-repo(Download)
import glob
from MolKit import Read
from AutoDockTools.GridParameters import GridParameters, grid_parameter_list4
from AutoDockTools.GridParameters import GridParameter4FileMaker
from AutoDockTools.atomTypeTools import AutoDock4_AtomTyper

src/p/y/Pymol-script-repo-HEAD/modules/ADT/AutoDockTools/Utilities24/prepare_gpf.py   Pymol-script-repo(Download)
from math import ceil
from MolKit import Read
from AutoDockTools.GridParameters import GridParameters, grid_parameter_list
from AutoDockTools.GridParameters import GridParameterFileMaker
 

src/p/y/Pymol-script-repo-HEAD/modules/ADT/AutoDockTools/Utilities24/gpf4_to_gpf3.py   Pymol-script-repo(Download)
from MolKit.pdbWriter import PdbqtWriter
from AutoDockTools.atomTypeTools import AutoDock4_AtomTyper
from AutoDockTools.GridParameters import GridParameters, grid_parameter_list
 
 
 
    #what about nucleic acids???
    GPO3 = GridParameters()
    GPO3.read4(gpf4_filename)
    GPO3.read(gpf4_filename)
    if verbose: print 'read ', gpf4_filename
    #have to set the ligand_types
    GPO3.set_ligand(ligand_filename)
    #build an autogrid3 'types' string from autogrid4 ligand_types
    GPO3.set_ligand_types3(GPO3['ligand_types']['value'])

src/p/y/Pymol-script-repo-HEAD/modules/ADT/AutoDockTools/Utilities24/gpf3_to_gpf4.py   Pymol-script-repo(Download)
from MolKit.pdbWriter import PdbqtWriter
from AutoDockTools.atomTypeTools import AutoDock4_AtomTyper
from AutoDockTools.GridParameters import GridParameters, grid_parameter_list4
 
 
 
    #what about nucleic acids???
    GPO4 = GridParameters()
    if gpf3_filename:
        GPO4.read(gpf3_filename)

src/p/y/Pymol-script-repo-HEAD/modules/ADT/AutoDockTools/lib_parameter_file_writer.py   Pymol-script-repo(Download)
import os, string, glob
from MolKit import Read
from AutoDockTools.GridParameters import GridParameters, grid_parameter_list
from AutoDockTools.DockingParameters import DockingParameters
from AutoDockTools.DockingParameters import genetic_algorithm_list, \
    def setup(self,gpffile):
        self.gpffile = gpffile
        self.gpo = GridParameters() 
        self.gpo.read(gpffile)
        if len(self.extratypes_dict):

src/p/y/Pymol-script-repo-HEAD/modules/ADT/AutoDockTools/Utilities24/summarize_docking_directory.py   Pymol-script-repo(Download)
    #
    from AutoDockTools.DockingParameters import DockingParameters
    from AutoDockTools.GridParameters import GridParameters
 
    dpo = DockingParameters()
    log.debug("ligand_pathname: %s" % ligand_pathname)
 
    gpo = GridParameters()
    log.info("reading gpf: %s" % gpf_pathname)
    gpo.read(gpf_pathname)