Hi Greg, On Mon, Dec 13, 2010 at 5:15 PM, Greg Landrum <[email protected]> wrote: > On Mon, Dec 13, 2010 at 3:33 PM, [email protected] <[email protected]> wrote: >> On Sat, Dec 11, 2010 at 5:23 PM, Greg Landrum <[email protected]> wrote: >> >>> I used the operator == instead of =. It >>> might even be worth considering using @=, since substructure and >>> superstructure searches are @> and <@, respectively.
just a quick question about the syntax to be used. The release notes clearly report @= was finally adopted, but what about the cast to mol type? It appears in the earlier examples in this thread, but in a couple of tests today it was accidentally omitted and the query was successfully processed. Is it now possible to pass a plain SMILES string as with the other structure operator? Best Regards, Riccardo ------------------------------------------------------------------------------ Special Offer-- Download ArcSight Logger for FREE (a $49 USD value)! Finally, a world-class log management solution at an even better price-free! Download using promo code Free_Logger_4_Dev2Dev. Offer expires February 28th, so secure your free ArcSight Logger TODAY! http://p.sf.net/sfu/arcsight-sfd2d _______________________________________________ Rdkit-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
