SparcleQC is a Python package that automatically creates QM/MM-like input files for the quantum chemistry codes Psi4, Q-Chem, and NWChem. It is specifically designed for use with protein:ligand complexes. Main features include cutting the QM region out of the protein, capping the QM region with hydrogen link atoms, obtaining point charges for the MM region, and altering QM/MM boundary charges.
