ammonium

mbuild_polybuild.aa_functional_groups.ammonium

Description

Ammonium moiety.

This module defines the Ammonium class, representing an ammonium functional group for molecular simulations. The ammonium group includes ports for attaching substituents.

Examples

>>> from mbuild_polybuild.aa_functional_groups.ammonium import Ammonium
>>> ammonium = Ammonium(substituents=2, alkane=[3, 4])
>>> ammonium.save("ammonium.mol2", overwrite=True)

Classes

Ammonium

An ammonium group.