def check(selection=None, preserve=0): ''' DESCRIPTION "check" is unsupported command that may eventually have something to do with assigning forcefield parameters to a selection of atoms. ''' # This function relies on code that is not currently part of PyMOL/ChemPy # NOTE: the realtime module relies on code that is not yet part of PyMOL/ChemPy from chempy.tinker import realtime if selection is None: arg = cmd.get_names("objects") arg = arg[0:1] if arg: if len(arg): selection = arg if selection is not None: selection = selector.process(selection) realtime.assign("(" + selection + ")", int(preserve)) realtime.setup("(" + selection + ")")
def check(selection=None, preserve=0): ''' DESCRIPTION "check" is unsupported command that may eventually have something to do with assigning forcefield parameters to a selection of atoms. ''' # This function relies on code that is not currently part of PyMOL/ChemPy # NOTE: the realtime module relies on code that is not yet part of PyMOL/ChemPy from chempy.tinker import realtime if selection==None: arg = cmd.get_names("objects") arg = arg[0:1] if arg: if len(arg): selection = arg if selection!=None: selection = selector.process(selection) realtime.assign("("+selection+")",int(preserve)) realtime.setup("("+selection+")")