Atom

class openmm.app.topology.Atom(name, element, index, residue, id, formalCharge=None)

An Atom object represents an atom within a Topology.

__init__(name, element, index, residue, id, formalCharge=None)

Construct a new Atom. You should call addAtom() on the Topology instead of calling this directly.

Methods

__init__(name, element, index, residue, id)

Construct a new Atom.