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 [source]¶
- 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] [source]¶