I'm traveling for the next week, without a laptop, so I'm not really going to be able to look at stuff until the 7th of June.
-greg On Sunday, May 29, 2011, Andrew Dalke <da...@dalkescientific.com> wrote: > Like I said, working on the validation code is very hard. Or at least tedious. > There's only 25 bits more to write check cases for. > > One of them is bit 141, defined a > > CH3 > 2 > > That is, at least three matches to the SMARTS [CH3] > > Then down in bit 160 it's > > CH3 > > with at least 1 match to the SMARTS [C;H3,H4]. > > I think the bit 141 should have the same SMARTS, to include CH4. > > It's hard to construct a real case where this will make > a difference so I'm not sure this is even appropriate. > > Greg? Any thoughts? > > > Andrew > da...@dalkescientific.com > > > > ------------------------------------------------------------------------------ > vRanger cuts backup time in half-while increasing security. > With the market-leading solution for virtual backup and recovery, > you get blazing-fast, flexible, and affordable data protection. > Download your free trial now. > http://p.sf.net/sfu/quest-d2dcopy1 > _______________________________________________ > Rdkit-discuss mailing list > Rdkit-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/rdkit-discuss > ------------------------------------------------------------------------------ vRanger cuts backup time in half-while increasing security. With the market-leading solution for virtual backup and recovery, you get blazing-fast, flexible, and affordable data protection. Download your free trial now. http://p.sf.net/sfu/quest-d2dcopy1 _______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
