Hi, On Sun, Nov 20, 2011 at 11:59 PM, Kirk Simmons <kirkasimm...@gmail.com> wrote: > >> I am trying to search a fast search indexed database and getting an Open >> Babel error "Cannot read the SMILES string". My input smiles is: >> NC(=O)C(c1aaaaa1)c2aaaaa2. Does someone see an issue here?
This is not a valid smiles string. The 'a' atoms are not valid in smiles, only for smarts queries as any aromatic atom. Tim >> Kirk Simmons > > ------------------------------------------------------------------------------ > All the data continuously generated in your IT infrastructure > contains a definitive record of customers, application performance, > security threats, fraudulent activity, and more. Splunk takes this > data and makes sense of it. IT sense. And common sense. > http://p.sf.net/sfu/splunk-novd2d > _______________________________________________ > OpenBabel-discuss mailing list > OpenBabel-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/openbabel-discuss > > ------------------------------------------------------------------------------ All the data continuously generated in your IT infrastructure contains a definitive record of customers, application performance, security threats, fraudulent activity, and more. Splunk takes this data and makes sense of it. IT sense. And common sense. http://p.sf.net/sfu/splunk-novd2d _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
