I would be very interested in this too, if it's possible in a general case.
Best regards, Igor On Tue, 2010-11-30 at 05:48 -0500, Hans De Winter wrote: > All, > > I'm using the OB C++ API and I wwas wondering whether there is a way > to retrieve bot Kekule structure from an aromatic system (if there are > two Kekule's)? For example, I would like to get access to both Kekule > forms of the aromatic indole ( c1ccc2c(c1)[nH]cc2 ), hence > [NH]1C=CC2=CC=CC=C12 and [NH]1C=CC2=C1C=CC=C2 > > Any C++ API methods available or alternative ideas? > > Thank you, > Hans > > > > ------------------------------------------------------------------------------ > Increase Visibility of Your 3D Game App & Earn a Chance To Win $500! > Tap into the largest installed PC base & get more eyes on your game by > optimizing for Intel(R) Graphics Technology. Get started today with the > Intel(R) Software Partner Program. Five $500 cash prizes are up for grabs. > http://p.sf.net/sfu/intelisp-dev2dev > _______________________________________________ > OpenBabel-discuss mailing list > OpenBabel-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/openbabel-discuss ------------------------------------------------------------------------------ Increase Visibility of Your 3D Game App & Earn a Chance To Win $500! Tap into the largest installed PC base & get more eyes on your game by optimizing for Intel(R) Graphics Technology. Get started today with the Intel(R) Software Partner Program. Five $500 cash prizes are up for grabs. http://p.sf.net/sfu/intelisp-dev2dev _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
