Residue Interaction Network-based ResidUe Selector (RINRUS), is a software toolkit that guides selection of atoms in a protein structure to be included in the QM-cluster, QM/MM, or ONIOM model.
RINRUS is written in Python and developed by the DeYonker research lab at the University of Memphis Department of Chemistry. It is available for download at: https://github.com/natedey/RINRUS
Please contact Prof. Nathan DeYonker (ndyonker@memphis.edu) for more details.