On Sat, Nov 27, 2010 at 5:07 PM, Greg Landrum <[email protected]> wrote: > I just checked in some changes that allow SMARTS to be used to do > substructure queries with the Postgresql cartridge.
Thanks, this will be very useful! > > Because SMARTS-based queries can be substantially slower than SMILES, > and much of the time SMILES is sufficient, by default queries will > still be done with SMILES. To get a SMARTS-based query, you have to > ask for it by creating a query molecule. > > So, for example, this is a SMILES query: <snip examples> I wanted to add this section to the wiki page about querying the database, but failed to find a "edit" button. I guess editing is restricted? Cheers G. -- Gianluca Sforna http://morefedora.blogspot.com http://identi.ca/giallu - http://twitter.com/giallu ------------------------------------------------------------------------------ Increase Visibility of Your 3D Game App & Earn a Chance To Win $500! Tap into the largest installed PC base & get more eyes on your game by optimizing for Intel(R) Graphics Technology. Get started today with the Intel(R) Software Partner Program. Five $500 cash prizes are up for grabs. http://p.sf.net/sfu/intelisp-dev2dev _______________________________________________ Rdkit-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
