On Mon, May 14, 2012 at 8:57 AM, Noel O'Boyle <baoille...@gmail.com> wrote: > Hello all, > > The current SMILES writer does not output cis/trans bond symbols for double > bonds in rings of size 12 or less. In the course of other work, I've come > across example of cis/trans bonds in rings of size 9 for example: > https://www.ebi.ac.uk/chembldb/compound/inspect/CHEMBL520004 versus > https://www.ebi.ac.uk/chembldb/compound/inspect/CHEMBL524149. > > Here's a size 10 trans example from wikipedia (I've seen these structures in > papers too): http://en.wikipedia.org/wiki/Germacranolide > > Any objections to dropping 12 down to 9?
No objections. This sounds like a good idea. Craig ------------------------------------------------------------------------------ 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/ _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
