> I’m not sure if clustering is implemented in Openbabel, there are other > options.
There is no clustering code directly in Open Babel because you can use a huge variety of packages to do clustering (e.g., using Python or R). As Chris mentions if you want to do it directly in the cheminformatics package, there are alternatives. -Geoff ------------------------------------------------------------------------------ Check out the vibrant tech community on one of the world's most engaging tech sites, Slashdot.org! http://sdm.link/slashdot _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
