> So here is the challenge: Can you identify an aromatic atom where the number > of electrons it donates is ambiguous, and there is no reasonable SMARTS that > can separate the two cases? I'm going to claim that there are *no* > situations where we don't know exactly the number of electrons each atom will > donate, if we specify a precise enough SMARTS.
My intuition would suggest that you are correct, provided you know the formal charge (i.e., also the exact valence) on the atom. It's a little harder when it's ambiguous. BTW, in the new table, there's a pentavalent C atom (row 8). Cheers, -Geoff ------------------------------------------------------------------------------ The Planet: dedicated and managed hosting, cloud storage, colocation Stay online with enterprise data centers and the best network in the business _______________________________________________ OpenBabel-Devel mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/openbabel-devel
