Hi all, in this email I would like to bring forward a request for comments (RFC) about the SMILES parser.
One thing that CDK 1.0 has clarified is the difficulties it has with deducing bond orders, for which it was tried to write a one-size-fits-all algorithm using available atom type lists. This failed. One workarou -- ---- http://chem-bla-ics.blogspot.com/ ------------------------------------------------------------------------- This SF.net email is sponsored by: Microsoft Defy all challenges. Microsoft(R) Visual Studio 2005. http://clk.atdmt.com/MRT/go/vse0120000070mrt/direct/01/ _______________________________________________ Cdk-user mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/cdk-user
