On Sun, Jul 11, 2010 at 4:13 PM, Nina Jeliazkova
<jeliazkova.nina at gmail.com> wrote:
> For the record - CDK DeduceBondTool doesn't succeed t derive the Kekule
> representation  , if called explicitly.

For the seven-ring?

That would make sense... the DeduceBondTool knows about a certain
normal situation, and has those hard-coded... a ring with radical is
not part of those situations, I guess...

Egon

-- 
Post-doc @ Uppsala University
Proteochemometrics / Bioclipse Group of Prof. Jarl Wikberg
Homepage: http://egonw.github.com/
Blog: http://chem-bla-ics.blogspot.com/
PubList: http://www.citeulike.org/user/egonw/tag/papers