Hej Asad, On Tue, Mar 22, 2011 at 10:35 AM, Syed Asad Rahman <a...@ebi.ac.uk> wrote: > I got an error while processing a SMILES string (mentioned below) > > smiles= > "C1C(CC(=O)C(C1(CC(CC(CC(=O)S[R])=O)=O)O)C(CC(CC(CC(CC)=O)=O)=O)=O)=O"
<snip> > I was wondering if this a valid error? It seems a valid error... it's likely the [R]... the Daylight Depict also reports this is not a SMILES string, but SMARTS/SMIRKS... Egon -- Dr E.L. Willighagen Postdoctoral Researcher Institutet för miljömedicin Karolinska Institutet Homepage: http://egonw.github.com/ LinkedIn: http://se.linkedin.com/in/egonw Blog: http://chem-bla-ics.blogspot.com/ PubList: http://www.citeulike.org/user/egonw/tag/papers ------------------------------------------------------------------------------ Enable your software for Intel(R) Active Management Technology to meet the growing manageability and security demands of your customers. Businesses are taking advantage of Intel(R) vPro (TM) technology - will your software be a part of the solution? Download the Intel(R) Manageability Checker today! http://p.sf.net/sfu/intel-dev2devmar _______________________________________________ Cdk-user mailing list Cdk-user@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/cdk-user
