Hi Joey, You can get the intended result like this
pat = Chem.MolFromSmarts("*=C1*C=C*1") mol = Chem.MolFromSmiles("C=C1SC=CS1") mol.HasSubstructMatch(pat) Pat On Tue, Jun 13, 2023 at 4:49 PM Storer, Joey (J) via Rdkit-discuss < rdkit-discuss@lists.sourceforge.net> wrote: > Hi RDKit masters, > > > > *rdkit.__version__ = 2023.03.1* > > > > I am trying to match structures with a double bond in a 5-membered ring. > > > > > > Then checking if this works in the sulfur case: > > > > > > > > Thanks for your thoughts. > > > > Joey Storer > > Core R&D, Dow Inc. > > > > > > > > General Business > _______________________________________________ > Rdkit-discuss mailing list > Rdkit-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/rdkit-discuss >
_______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss