Package schrodinger :: Package application :: Package mcpro :: Module zmat :: Class ZmatAtom

Class ZmatAtom

class to store an atom of a zmat

Instance Methods

__init__(self, nr=0, symbol='', iztype=0, iftype=0, iz1=0, iz2=0, iz3=0, zpar1=0.0, zpar2=0.0, zpar3=0.0, resname='', terz='', resnum=0, element=0, printZmatAtomLigStart=None)

printZmatAtom(self, fileH, ligOnly=0)
print Zmat Atom

printSwapZmatAtom(self, fileH)
print Zmat Atom