> I'll have a look into it - I'll keep you updated. I'll point out that the kekulize.cpp code is hairy, in part because we don't wish to break old API. (Fortunately that will change now.)
In the 2.3 code, look for expandKekulize() and instead of "return true", you'll want to save that bond assignment (i.e., it's a valid Kekule assignment) and *then* return true. However, I'll point out that for large fused aromatic systems, retrieving all Kekule structures will be exponentially costly. -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
