diff --git a/modules/conop/doc/compoundlib.rst b/modules/conop/doc/compoundlib.rst index 640ced9e1ee3dfc7f97340dea72282e4baf1444e..018946c42bfce9857da96204b2505bb789768ed8 100644 --- a/modules/conop/doc/compoundlib.rst +++ b/modules/conop/doc/compoundlib.rst @@ -167,6 +167,14 @@ build the compound library manually. 'XLYOFNOQVPJJNP-UHFFFAOYSA-N' for water. Read-only. :type: :class:`str` + + .. attribute:: smiles + + The SMILES string of this compound, e.g 'O' for water. Read-only. + The string is read from the canonical SMILES produced by the + OpenEye OEToolkits. + + :type: :class:`str` .. class:: AtomSpec