> "-h" is misnamed, I'm afraid. It doesn't add hydrogens to fill > valencies, but rather converrts implicit to explicit hydrogens. You > can open in Avogadro and click "Build/AddHydrogens" to do this.
Well, Avogadro will just call Open Babel. ;-) > Note to Geoff: would this be a useful 'op' or else option on XYZ? Maybe? It's probably more useful as an 'op' because there may be other files that come in with "missing hydrogens" -G ------------------------------------------------------------------------------ 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
