Non-Bonded Exclusions

This module defines NBExclusion for dealing with bond information provided by using AtomGroup.setNBExclusions() method.

class NBExclusion(ag, indices, acsi=None)

A pointer class for nonnonbonded exclusion exclusion atoms. Following built-in functions are customized for this class:

• iter() yields Atom instances

getACSIndex()

Returns index of the coordinate set.

getAtomGroup()

Returns atom group.

getAtoms()

Returns nonbonded exclusion atoms.

getIndices()

Returns indices of nonbonded exclusion atoms.

getVector()

Returns vector that originates from the first atom.

setACSIndex(index)

Set the coordinate set at index active.