biotite.interface.rdkit

This subpackage provides an interface to the RDKit cheminformatics package. It allows conversion between AtomArray and rdkit.Chem.rdchem.Mol objects.

Content

from_mol	Convert a rdkit.Chem.rdchem.Mol into an AtomArray or AtomArrayStack.
to_mol	Convert an AtomArray or AtomArrayStack into a rdkit.Chem.rdchem.Mol.