On 13 September 2011 19:51, Geoffrey Hutchison <geo...@pitt.edu> wrote: >> The patch is correct. It just exposes some bugs in the SMARTS matcher >> for stereochemistry. I'm 50% through resolving it. Can you hang on >> another few days and I'll have it sorted? > > OK, sounds good. > > -Geoff
On second thoughts, I think I'll wait until after the release to sort this out. It's really an edge case of the SMARTS matcher, in other words, it's not that serious (especially as no-one ever noticed). And it'll take a bit of work to sort it all out. I'd prefer to see the current code go out the door. On a separate issue, I was wondering would you consider writing up a chapter for the docs on the use of OB in Comp chem. Basically, I'm still confused how to use the Keywords to generate an input file, and it would be nice to see a list of the data fields extracted through the API for different log files. - Noel ------------------------------------------------------------------------------ BlackBerry® DevCon Americas, Oct. 18-20, San Francisco, CA Learn about the latest advances in developing for the BlackBerry® mobile platform with sessions, labs & more. See new tools and technologies. Register for BlackBerry® DevCon today! http://p.sf.net/sfu/rim-devcon-copy1 _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
