aa_molecules

mbuild_polybuild.aa_molecules

Description

This module provides all-atom complete molecules.

These molecules are fully defined and can be used directly in molecular simulations.

Available Molecules

• MonatomicIon: A monatomic ion.

Examples

>>> from mbuild_polybuild.aa_molecules import MonatomicIon
>>> ion = MonatomicIon(element="Na")
>>> ion.save("monatomic_ion.mol2", overwrite=True)

ion	Monotomic Ion