Atom Class Reference

An Atom object represents a residue within a Topology. More...

Inheritance diagram for Atom:

Public Member Functions
def	__init__
	Construct a new Atom. More...

Public Attributes
	name
	The name of the Atom. More...
	element
	That Atom's element. More...
	index
	The index of the Atom within its Topology. More...
	residue
	The Residue this Atom belongs to. More...
	id
	A user defined identifier for this Atom. More...

Detailed Description

An Atom object represents a residue within a Topology.

Constructor & Destructor Documentation

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

Construct a new Atom.

You should call addAtom() on the Topology instead of calling this directly.

Member Data Documentation

element

That Atom's element.

Referenced by ForceField.registerScript().

id

A user defined identifier for this Atom.

index

The index of the Atom within its Topology.

Referenced by ForceField.registerScript().

name

The name of the Atom.

Referenced by Element.__repr__(), Element.__str__(), Modeller.addSolvent(), and ForceField.registerScript().

residue

The Residue this Atom belongs to.

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The documentation for this class was generated from the following file:

• topology.py