This is an extensive wrapper around RDKit's functionality. Some of the featured functions are high-level wrappers around RDKit's file parsers. Most of the functionality in this module is centered around refining RDKit's maximum common substructure (MCS) algorithm and using a custom alignment algorithm. Since this is the most challenging part of the code, the user is strongly encouraged to always validate the resulting mappings and alignments.
ProtoCaller.Wrappers.rdkitwrapper