Hi Remy, On Tue, Sep 29, 2009 at 4:26 PM, remy d1 <remy...@gmail.com> wrote: > There is a small problem in JCP applet : aromaticity is not implemented. > http://en.wikipedia.org/wiki/Simplified_molecular_input_line_entry_specification#Aromaticity > > Benzene is seen as C1=CC=CC=C1. Il should be c1ccccc1.
According to the SMILES definition *both* molecules are aromatic. Egon -- Post-doc @ Uppsala University Homepage: http://egonw.github.com/ Blog: http://chem-bla-ics.blogspot.com/ PubList: http://www.citeulike.org/user/egonw/tag/papers ------------------------------------------------------------------------------ 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
