MOFUN: a Python package for molecular find and replace
Paul Boone, Christopher E. Wilmer
Abstract
MOFUN is an open-source Python package that can find and replace molecular substructures in a larger, potentially periodic, system.
Topics & Concepts
Python (programming language)Computer scienceOpen sourceProgramming languageR packageComputational scienceSoftwareMachine Learning in Materials ScienceProtein Structure and DynamicsAdvanced Chemical Physics Studies