Dear James, On Sat, Nov 27, 2010 at 8:53 AM, James Davidson <j.david...@vernalis.com> wrote: > >> >> I don't think that will help. Unfortunately the problem is in the way >> stereochemical information is handled in the reaction code. My gut >> feeling is that this is not going to be a quick one to fix, but I will >> take a look. > > Thanks for looking into it!
After looking through the code and thinking about it for a while, I haven't been able to come up with a way of fixing this that doesn't create a significant risk of adding incorrect stereochemical information to the results of reactions. I think it's safer to have no information there than it is to include information that could be wrong. I will keep thinking about it, but I'm not really optimistic that there's going to be fix for this that isn't a lot of work. -greg ------------------------------------------------------------------------------ What happens now with your Lotus Notes apps - do you make another costly upgrade, or settle for being marooned without product support? Time to move off Lotus Notes and onto the cloud with Force.com, apps are easier to build, use, and manage than apps on traditional platforms. Sign up for the Lotus Notes Migration Kit to learn more. http://p.sf.net/sfu/salesforce-d2d _______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
