Dihedral

This module defines Dihedral for dealing with dihedral information provided by using AtomGroup.setDihedrals() method.

class Dihedral(ag, indices, acsi=None)

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

• len() returns dihedral length, i.e. getSize()
• iter() yields Atom instances

getACSIndex()

Returns index of the coordinate set.

getAtomGroup()

Returns atom group.

getAtoms()

Returns dihedrald atoms.

getIndices()

Returns indices of dihedrald atoms.

getSize(radian=False)

Returns dihedral size.

getVectors()

Returns bond vectors that originate from the central atom.

setACSIndex(index)

Set the coordinate set at index active.