> For interest I tested Open Babel using Rich's substructure benchmark > at > http://depth-first.com/articles/2009/01/22/mx-performance-comparison-3-substructure-search-in-mx-and-cdk/. > My code is at https://gist.github.com/663914.
Would you try running the benchmark with Chris's implicit valence adjustments? (The one which changes the IMPVAL to not require hybridization SMARTS.) I'm curious how much of a hit the hybridization assignment causes. Thanks, -Geoff ------------------------------------------------------------------------------ The Next 800 Companies to Lead America's Growth: New Video Whitepaper David G. Thomson, author of the best-selling book "Blueprint to a Billion" shares his insights and actions to help propel your business during the next growth cycle. Listen Now! http://p.sf.net/sfu/SAP-dev2dev _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
