I filed a bug report for this (#2869859). The question is when best to do aromaticity detection? Is just before smiles generation ok or should we do it constantly when something changes? Stefan
On Tuesday 29 September 2009 15:26:14 remy d1 wrote: > Hi all, > > There is a small problem in JCP applet : aromaticity is not implemented. > http://en.wikipedia.org/wiki/Simplified_molecular_input_line_entry_specific >ation#Aromaticity > > Benzene is seen as C1=CC=CC=C1. Il should be c1ccccc1. > > > Regards. > > --------------------------------------------------------------------------- >--- Come build with us! The BlackBerry® Developer Conference in SF, CA > is the only developer event you need to attend this year. Jumpstart your > developing skills, take BlackBerry mobile applications to market and stay > ahead of the curve. Join us from November 9-12, 2009. Register now! > http://p.sf.net/sfu/devconf > _______________________________________________ > Cdk-user mailing list > Cdk-user@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/cdk-user -- Stefan Kuhn B. Sc. M. A. Software Engineer in the Chemoinformatics and Metabolism Team European Bioinformatics Institute (EBI) Wellcome Trust Genome Campus Hinxton, Cambridge CB10 1SD UK Phone +44 1223 49 2657 Fax +44 (0)1223 494 468 ------------------------------------------------------------------------------ Come build with us! The BlackBerry® Developer Conference in SF, CA is the only developer event you need to attend this year. Jumpstart your developing skills, take BlackBerry mobile applications to market and stay ahead of the curve. Join us from November 9-12, 2009. Register now! http://p.sf.net/sfu/devconf _______________________________________________ Cdk-user mailing list Cdk-user@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/cdk-user
