On Wed, Feb 24, 2010 at 4:08 PM, Mark Rijnbeek <ma...@ebi.ac.uk> wrote: > It'd be interesting to see the examples (pattern and molecule). In my > database search toolkit (Orchem) I also implemented SMARTS searching, but > the CDK's performance was not good.
Sounds like an excellent CDK News paper... > I haven't looked into this further. But > here's an idea. As JoeLib is licensed under the GNU General Public License, > would it be an option to incorporate the JoeLib implementation into the CDK? No, that would not be possible... but it could go into ChemoJava, which is a holder for GPL code using the CDK library as underlying technology... > I'd volunteer myself to try and do this, if in principle we are allowed to. > Any thoughts anyone? Egon -- Post-doc @ Uppsala University Proteochemometrics / Bioclipse Group of Prof. Jarl Wikberg Homepage: http://egonw.github.com/ Blog: http://chem-bla-ics.blogspot.com/ PubList: http://www.citeulike.org/user/egonw/tag/papers ------------------------------------------------------------------------------ Download Intel® Parallel Studio Eval Try the new software tools for yourself. Speed compiling, find bugs proactively, and fine-tune applications for parallel performance. See why Intel Parallel Studio got high marks during beta. http://p.sf.net/sfu/intel-sw-dev _______________________________________________ Cdk-user mailing list Cdk-user@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/cdk-user
