Hi there, In the course of sorting out the handling of implicit Hs, I've found that the current SMILES writer writes hypervalent atoms from the organic subset in square brackets. E.g. Texas carbons:
>obabel -:C(C)(C)(C)(C)C -osmi [C](C)(C)(C)(C)C or "FIF" as "F[I]F". This is unusual behaviour compared to other toolkits and I think lack of brackets are preferred where possible, so I've changed this (on my branch). If this is an issue for anyone, now's the time to duke it out. - Noel ------------------------------------------------------------------------------ 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
