diff --git a/docs/guide/setup/creating_atom_mappings_and_scores.rst b/docs/guide/setup/creating_atom_mappings_and_scores.rst index 2e0503649..f0df5659e 100644 --- a/docs/guide/setup/creating_atom_mappings_and_scores.rst +++ b/docs/guide/setup/creating_atom_mappings_and_scores.rst @@ -16,6 +16,7 @@ The :class:`.LigandAtomMapper` takes pairs of :class:`openfe.SmallMoleculeCompon Built in to the ``openfe`` package are bindings to the `Lomap `_ package, including the :class:`.openfe.setup.LomapAtomMapper`, which uses an MCS approach based on RDKit. + .. TODO: insert example output This is how we can create a mapping between two ligands: