Non-Bonded Exclusions

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

class prody.atomic.nbexclusion.NBExclusion(ag, indices, acsi=None)[source]

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

iter() yields Atom instances

getACSIndex()[source]: Returns index of the coordinate set.

getAtomGroup()[source]: Returns atom group.

getAtoms()[source]: Returns nonbonded exclusion atoms.

getIndices()[source]: Returns indices of nonbonded exclusion atoms.

getVector()[source]: Returns vector that originates from the first atom.

setACSIndex(index)[source]: Set the coordinate set at index active.