[Open Babel] Somebody interested in a VF2 based structure matcher for OB?

2009-12-11 Thread ernst-georg . schmid
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 allow

Re: [Open Babel] Somebody interested in a VF2 based structure matcher for OB?

2009-12-11 Thread Igor Filippov
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...@b