schrodinger.application.matsci.msutils module

Utility functions and classes for MatSci workflows.

Copyright Schrodinger, LLC. All rights reserved.

schrodinger.application.matsci.msutils.remove_atom_property(struct, prop)

Delete atom property from all atoms in a structure (structure will be modified).

Parameters:

• struct (structure.Structure) – Structure object to be modified
• prop (str) – Atom property to be removed