On Sat, May 5, 2012 at 11:35 PM, Andrew Dalke <[email protected]> wrote: > On May 5, 2012, at 5:06 PM, Andrew Dalke wrote: >> CHEMBL1185048 triggers an interesting RDKit behavior. > > > Also, CHEMBL386025 and CHEMBL1169462 cause the same behavior using the same > approach. >
I've confirmed the problem. There was a related bug a while ago connected to kekulization and modified fullerenes; I'm going to have to dig in and figure out what that was and how I fixed it. Do you mind doing the sourceforge bug report for this? -greg ------------------------------------------------------------------------------ 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
