On Nov 30, 2010, at 10:21 AM, Igor Filippov [Contr] wrote: > I would be very interested in this too, if it's possible in a general > case.
There is not currently a mechanism to do this. The code in kekulize.cpp would need to be changed -- right now, it terminates once it's found a successful Kekule assignment. So you'd want to change this to retrieve all possible Kekule assignments and store them, say in a bitvector or somesuch. Hans, if you have someone willing to dabble in the Kekulize code, I can point the way, but I won't have any time to do this myself for a long while. -Geoff ------------------------------------------------------------------------------ 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
