All, On Thu, Aug 12, 2010 at 6:43 PM, Egon Willighagen <[email protected]> wrote: > AFAIK the SMILES specification dictates that the parser detects the > aromaticity...
For example... the parser needs to decide if something is aromatic or anti-aromatic... both are validly encoded with lower-case organic subset elements... > I'm done discussing SMILES... If there is someone who likes to stand up and take maintainership of the smiles module, please let me know... Egon -- Dr E.L. Willighagen Post-doc @ Uppsala University (only until 2010-09-30) 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 ------------------------------------------------------------------------------ This SF.net email is sponsored by Make an app they can't live without Enter the BlackBerry Developer Challenge http://p.sf.net/sfu/RIM-dev2dev _______________________________________________ Cdk-user mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/cdk-user
