On 14/08/12 18:06, Michael Palmer wrote: > Hi, > > it seems that nitrogen atoms in aromatic rings are being assigned > faulty valences... [snip] > > > I've seen this with several other compounds as well; I'm not exactly > sure that the error is strictly associated with aromaticity though. > Sorry if this is a known issue, but I couldn't find it mentioned > anywhere.
I believe that the exchange I had with Greg some time ago is not completely unrelated http://www.mail-archive.com/[email protected]/msg01346.html Paul. ------------------------------------------------------------------------------ Live Security Virtual Conference Exclusive live event will cover all the ways today's security and threat landscape has changed and how IT managers can respond. Discussions will include endpoint security, mobile security and the latest in malware threats. http://www.accelacomm.com/jaw/sfrnl04242012/114/50122263/ _______________________________________________ Rdkit-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
