I'm very interested to find an open source maximum common substructure "matcher" - and I was actually planning to look at vflib for the purpose of writing one. Can your matcher be expanded to do that? I would really appreciate it then!
Igor On Fri, 2009-12-11 at 11:48 +0100, ernst-georg.sch...@bayerbbs.com wrote: > I have written an experimental substructure and exact matcher based on the > VF2 algorithm and the libvf library (igraph seems posssible too but > requires a rewrite). > > It currently is substantially (3x - 10x) slower than > SmartsPattern.Match(), but can do exact matching on the graph level and > allows more control over what is 'exact' than comparing canonical SMILES > or InChI strings. > > If somebody is interested, I'll put it somewhere on the web for review. > > regards, > > Ernst-Georg > > ------------------------------------------------------------------------------ > Return on Information: > Google Enterprise Search pays you back > Get the facts. > http://p.sf.net/sfu/google-dev2dev > _______________________________________________ > OpenBabel-discuss mailing list > OpenBabel-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/openbabel-discuss ------------------------------------------------------------------------------ Return on Information: Google Enterprise Search pays you back Get the facts. http://p.sf.net/sfu/google-dev2dev _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
