[Rdkit-discuss] Further issue with reactions and chirality

Hi, I believe I've found a bug in the new code that deals with reactions that have chirality specified for untagged product atoms. Consider the following: > rxn = AllChem.ReactionFromSmarts("[C:1].[C:2]>>C1C[C@@H](C[C:1])CC[C@ @H](C[C:2])1") > m1 = Chem.MolFromSmiles('FC') > m2 = Chem.MolFromSmil

Re: [Rdkit-discuss] Further issue with reactions and chirality

Oops, forgot to mention: This is with the solution to github issue #233patched into my RDKit build. Yours, Toby Wright -- InhibOx Ltd On 28 March 2014 15:43, Toby Wright wrote: > Hi, > > I believe I've found a bug in the new code that deals with rea

Re: [Rdkit-discuss] SMARTS behaviour

Thanks Jameed and Adrian, I will have a look at those SMARTS, I have to admit I didn't know about them previous so thank you very much. The SMARTS viewer had been really helpful, though it seemed to be showing me what I wanted. I was using the SMARTS editor from the Rarey group before using a