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joshhorton
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Allowed RDKit to read PDBs only when combined with a valid smiles string, this adds a new classmethod from_pdb.
This introduces new functionality for `are_isomorphic` function which now can return an atom_mapping and can match based on user criteria. This will be useful to refactor `Topology.from_openmm`. hill_formula implemented to_qcshema implemented from mapped_smiles implemented with internal atom ordering remapping. from qcshema started from cmiles only using an instance.
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