Exemplo n.º 1
0
 def __init__(self, dlgFile=None):
     """selected dlgFile,ok sets which docked conformations to show"""
     ResultParser.__init__(self)
     self.filename = dlgFile
     # set up dict here
     if dlgFile:
         self.filename = os.path.basename(dlgFile)
         self.parse(dlgFile)
Exemplo n.º 2
0
 def __init__(self, dlgFile=None):
     """selected dlgFile,ok sets which docked conformations to show"""
     ResultParser.__init__(self)
     self.filename = dlgFile
     #set up dict here
     if dlgFile:
         self.filename = os.path.basename(dlgFile)
         self.parse(dlgFile)
Exemplo n.º 3
0
 def __init__(self, dlgFile=None, dpfFile=None):
     """selected dlgFile,ok sets which docked conformations to show"""
     ResultParser.__init__(self)
     self.filename = dlgFile
     self.version = 1.0
     if dlgFile:
         self.filename = os.path.basename(dlgFile)
         self.parse(dlgFile)
     if dpfFile:
         self.dpf = dpfFile
Exemplo n.º 4
0
 def __init__(self, dlgFile=None):
     """selected dlgFile,ok sets which docked conformations to show"""
     ResultParser.__init__(self)
     self.filename = dlgFile
     self.version = 4.2
     self.ntors = 0
     self.found_ntors = 0
     if dlgFile:
         self.filename = os.path.basename(dlgFile)
         self.parse(dlgFile)
Exemplo n.º 5
0
 def __init__(self, dlgFile=None):
     """selected dlgFile,ok sets which docked conformations to show"""
     ResultParser.__init__(self)
     self.filename = dlgFile
     self.version = 4.2
     self.ntors = 0
     self.found_ntors= 0
     if dlgFile:
         self.filename = os.path.basename(dlgFile)
         self.parse(dlgFile)
Exemplo n.º 6
0
 def __init__(self, dlgFile=None):
     """selected dlgFile,ok sets which docked conformations to show"""
     ResultParser.__init__(self)
     self.filename = dlgFile
     self.WARNINGS = []
     self.population_list = []
     self.population = []
     #set up dict here
     self.getReDict()
     self.ligand_atom_count = 0
     if dlgFile:
         self.filename = os.path.basename(dlgFile)
         self.parse(dlgFile)
Exemplo n.º 7
0
 def __init__(self, dlgFile=None):
     """selected dlgFile,ok sets which docked conformations to show"""
     ResultParser.__init__(self)
     self.filename = dlgFile
     self.WARNINGS = []
     self.population_list = []
     self.population = []
     #set up dict here
     self.getReDict()
     self.ligand_atom_count = 0
     self.ligand_count = 0
     if dlgFile:
         self.filename = os.path.basename(dlgFile)
         self.parse(dlgFile)
 def __init__(self):
     ResultParser.__init__(self)
Exemplo n.º 9
0
 def __init__(self):
     ResultParser.__init__(self)