Dear all, I'm planning to add an RD file parser to the RDKit, but I'm having a difficult time finding a good public source of RD files to use for testing. The only thing I've managed to find so far is EBI's RHEA (http://www.ebi.ac.uk/rhea//home.xhtml). This has a large number of reactions, but they are unfortunately not mapped, so they are of limited use for testing.
Can anyone provide me with, or point me to, some sample RD files? Particularly welcome would be files that include mapped reactions. -greg ------------------------------------------------------------------------------ vRanger cuts backup time in half-while increasing security. With the market-leading solution for virtual backup and recovery, you get blazing-fast, flexible, and affordable data protection. Download your free trial now. http://p.sf.net/sfu/quest-d2dcopy1 _______________________________________________ Rdkit-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
