[Joelib-cvs] Aromaticity typer bug: bridging root atoms

[Joerg K. W. <we...@in...>]

Hi,

the aromaticity typer bug is fixed.
see joelib.data.JOEAromaticTyper

We use a prescreening of all available root atoms. Then, when picking 
new root atoms for bridging root atoms we check if the new root atom is 
a ring without root atom !!!

Regards, Joerg
-- 
Dipl. Chem. Joerg K. Wegner
Center of Bioinformatics Tuebingen (ZBIT)
Department of Computer Architecture
Univ. Tuebingen, Sand 1, D-72076 Tuebingen, Germany
Phone: (+49/0) 7071 29 78970
Fax: (+49/0) 7071 29 5091
E-Mail: mailto:we...@in...
WWW:    http://www-ra.informatik.uni-tuebingen.de
--
Never mistake motion for action.
                          E. Hemingway