def __init__(self, filename=None, allLines=None):
"""Constructor for mmCIFParser: adopted form PdbParser"""
#self.filename = filename
#self.allLines = allLines
MoleculeParser.__init__(self, filename, allLines)
# self.altLoc = None #Flag to handle alternate locations.
# self.model = 0 #Flag to indicate if Models or not
self.mmCIF_dict = {} # dictionary used to store mmcif data structure
def __init__(self, filename=None, allLines=None):
"""Constructor for mmCIFParser: adopted form PdbParser"""
#self.filename = filename
#self.allLines = allLines
MoleculeParser.__init__(self, filename, allLines)
# self.altLoc = None #Flag to handle alternate locations.
# self.model = 0 #Flag to indicate if Models or not
self.mmCIF_dict = {} # dictionary used to store mmcif data structure
def __init__(self, filename):
MoleculeParser.__init__(self, filename)
self.mol2RecordParser = {}
self.defaultReadOptions = [
'@<TRIPOS>ATOM', '@<TRIPOS>BOND', '@<TRIPOS>MOLECULE',
'@<TRIPOS>SET', '@<TRIPOS>SUBSTRUCTURE', '@<TRIPOS>DICT'
]
self.keysAndLinesIndices = {} # stores all Mol2 keys .
self.counter = 0
self.setsDatas = []
def __init__(self, filename):
MoleculeParser.__init__(self, filename)
self.mol2RecordParser = {}
self.defaultReadOptions = ['@<TRIPOS>ATOM','@<TRIPOS>BOND',
'@<TRIPOS>MOLECULE',
'@<TRIPOS>SET','@<TRIPOS>SUBSTRUCTURE',
'@<TRIPOS>DICT']
self.keysAndLinesIndices = {} # stores all Mol2 keys .
self.counter = 0
self.setsDatas = []
def __init__(self, filename=None, allLines=None, modelsAs='molecules'):
"""Constructor for sdfParser"""
MoleculeParser.__init__(self, filename, allLines)
self.model = False
self.modelsAs = modelsAs
def __init__( self, filename=None, allLines=None ):
"""Constructor for groParser: adopted form PdbParser"""
MoleculeParser.__init__( self, filename, allLines )
def __init__(self, filename=None, allLines=None):
"""Constructor for groParser: adopted form PdbParser"""
MoleculeParser.__init__(self, filename, allLines)
