schrodinger.livedesign.rgroup_decomposition module

Collection of functions used for RGroup Decomposition.

Copyright Schrodinger, LLC. All rights reserved.

schrodinger.livedesign.rgroup_decomposition.replace_rgroups_with_dummy_atoms(mol: rdkit.Chem.rdchem.Mol) → rdkit.Chem.rdchem.Mol

schrodinger.livedesign.rgroup_decomposition.get_rgroup_decomp(scaffold_mol: rdkit.Chem.rdchem.Mol, match_mol: rdkit.Chem.rdchem.Mol, options: schrodinger.livedesign.substructure.QueryOptions) → List[dict]