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)
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)
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
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)
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)
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)
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)
def __init__(self):
ResultParser.__init__(self)