Hi Noel, I'm working with Naruki, the student with GSoC developing the fragment-based coordinate generation.
He's updating my old fragmentation code, which used the SMILES Atom Order data to canonicalize fragments. I can't find your comments on this, and I don't remember whether it was in the GitHub tracker or Open Babel development list. Thanks, -Geoff ------------------------------------------------------------------------------ Check out the vibrant tech community on one of the world's most engaging tech sites, Slashdot.org! http://sdm.link/slashdot _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
