Did I find the right examples for you? yes no      Crawl my project      Python Jobs

All Samples(6)  |  Call(4)  |  Derive(0)  |  Import(2)

src/p/y/Pymol-script-repo-HEAD/modules/ADT/AutoDockTools/Docking.py   Pymol-script-repo(Download)
from AutoDockTools.DockingParameters import DockingParameters
from AutoDockTools.DlgParser import DlgParser
from AutoDockTools.Conformation import Conformation, ConformationHandler
from AutoDockTools.Conformation import PopulationHandler
from AutoDockTools.cluster import Clusterer
        self.version = dlo.version
        if not self.ch:
            self.ch = ConformationHandler(self.ligMol, 
                                      dlo.dpo['about']['value'])
 
                #NB all dpo must have the same 'about' and 'move' values
                # and therefore the same ligMol
                self.ch = ConformationHandler(self.ligMol, 
                                      dlo.dpo['about']['value'])
            oldIndex = len(self.ch.conformations)
            #NB all dpo must have the same 'about' and 'move' values
            # and therefore the same ligMol
            self.ch = ConformationHandler(self.ligMol, 
                                  dlo.dpo['about']['value'])
        oldIndex = len(self.ch.conformations)

src/p/y/Pymol-script-repo-HEAD/modules/ADT/AutoDockTools/autoanalyzeCommands.py   Pymol-script-repo(Download)
from MolKit.stringSelector import CompoundStringSelector
from AutoDockTools.DockingParameters import DockingParameters
from AutoDockTools.Conformation import AutodockState, ConformationHandler
from AutoDockTools.ConfPlayer import ConformationPlayer, PopulationPlayer
from AutoDockTools.Docking import Docking, FoxResultProcessor
            #NEED TO make a conformation handler etc etc
            dlo = d.dlo_list[-1]
            d.ch = ConformationHandler(mol, dlo.dpo['about']['value'])
            d.addConformations(parser)
            #add the clusterer if there isn't one at this point