Python AmberParm.initialize_topology Exemples

Exemple #1

 def initialize_topology(self, xyz=None, box=None):
     """
     Initializes topology data structures, like the list of atoms, bonds,
     etc., after the topology file has been read. The following methods are
     called:
     """
     self.LJ_14_radius = []
     self.LJ_14_depth = []
     AmberParm.initialize_topology(self, xyz, box)

Exemple #2

Fichier : _chamberparm.py Projet : ChristianVirtual/ParmEd

 def initialize_topology(self, xyz=None, box=None):
     """
     Initializes topology data structures, like the list of atoms, bonds,
     etc., after the topology file has been read. The following methods are
     called:
     """
     self.LJ_14_radius = []
     self.LJ_14_depth = []
     AmberParm.initialize_topology(self, xyz, box)