I sent c++ code for MCES and MCIS for submission for OpenBabel, it should be possible in principle to modify it to work with RDKit as well.
Igor On Sun, 2011-08-14 at 23:03 -0400, Greg Landrum wrote: > Dear TJ, > > On Mon, Aug 15, 2011 at 1:03 AM, TJ O'Donnell <t...@acm.org> wrote: > > Is there a module in rdkit to find the maximum common substructure for > > a set of input molecules? > > I'm afraid not. > > -greg > > ------------------------------------------------------------------------------ > uberSVN's rich system and user administration capabilities and model > configuration take the hassle out of deploying and managing Subversion and > the tools developers use with it. Learn more about uberSVN and get a free > download at: http://p.sf.net/sfu/wandisco-dev2dev > _______________________________________________ > Rdkit-discuss mailing list > Rdkit-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/rdkit-discuss ------------------------------------------------------------------------------ uberSVN's rich system and user administration capabilities and model configuration take the hassle out of deploying and managing Subversion and the tools developers use with it. Learn more about uberSVN and get a free download at: http://p.sf.net/sfu/wandisco-dev2dev _______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
