Hi, I'm wondering how I can match hydronium ions (H3O+) and H5O2+ using SMARTS with OpenBabel. I created the OBMol object with only atomic number and coordinates information, and I tried using "[#8](~[#1])(~[#1])~[#1]", "[#8+](~[#1])(~[#1])~[#1]", and "[OH3+]" but none of them produced any matches. If I set atomic number for oxygen atoms to 6 (pretending they are carbon) when creating OBMol, and use "[#6](~[#1])(~[#1])~[#1]", then it does match successfully. Is there anything I'm doing wrong here?
Thanks very much! Peng ------------------------------------------------------------------------------ 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
