> Are you able to provide files that show this? Or reduce it to single > compounds that are being eliminated that can be shared?
Even if it’s only a subset, that would be helpful. I’m working on a distance geometry method that should offer increased range. Either way, having examples is crucial. 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-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss