Hydrogen Bond Donor

This module defines Donor for dealing with donor information provided by using AtomGroup.setDonors() method.

class Donor(ag, indices, acsi=None)

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

• len() returns donor length, i.e. getLength()
• iter() yields Atom instances

getACSIndex()

Returns index of the coordinate set.

getAtomGroup()

Returns atom group.

getAtoms()

Returns donored atoms.

getIndices()

Returns indices of donored atoms.

getLength()

Returns donor length.

getVector()

Returns donor vector that originates from the first atom.

setACSIndex(index)

Set the coordinate set at index active.