parmed.topologyobjects.ChiralFrame

class parmed.topologyobjects.ChiralFrame(atom1, atom2, chirality)

A chiral frame as defined in the AMOEBA force field. It defines the frame of reference for a chiral center

Parameters

atom1Atom

The first atom defined in the chiral frame

atom2Atom

The second atom defined in the chiral frame

chiralityint

Either 1 or -1 to identify directionality. A ValueError is raised if a different value is provided

Notes

A chiral frame can only contain atoms.

__init__(atom1, atom2, chirality)

Initialize self. See help(type(self)) for accurate signature.

Methods

__init__(atom1, atom2, chirality)

Initialize self.