Noel's point is that a CIF file (and a PDB) do not necessarily retain connectivity.
> The reason why I am using Avogadro is that I want to add hydrogen atoms to > oxygen in a cif file obtained from x-ray with keeping symmetry. Is there > any suggestion how to do that? Not necessarily. The hydrogen addition code does not track the space group symmetry. I would probably try CCDC Mercury. -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
