> this is way cool. does jmol calculate aromaticity, or just read it from > the mol file? > > :tim
It is only taking the aromaticity from the file. .mol files can (apparently) say that the bond order is 4 ... meaning aromatic. At some point we can add a command to calculate aromaticity. Also, CDK can calculate aromaticity. So using CDK we could get info about aromatic bonds. Miguel ------------------------------------------------------- This SF.net email is sponsored by: IBM Linux Tutorials. Become an expert in LINUX or just sharpen your skills. Sign up for IBM's Free Linux Tutorials. Learn everything from the bash shell to sys admin. Click now! http://ads.osdn.com/?ad_id=1278&alloc_id=3371&op=click _______________________________________________ Jmol-users mailing list [EMAIL PROTECTED] https://lists.sourceforge.net/lists/listinfo/jmol-users
