On Wed, Oct 7, 2009 at 1:53 PM, Rajarshi Guha <rajarshi.g...@gmail.com> wrote: > On Wed, Oct 7, 2009 at 7:36 AM, Egon Willighagen > Apart from the rendering issues, why make a QueryAtomContainer by hand? The > SMARTSQueryTool will accept a SMILES as the query pattern
Sure, but SMILES cannot express the goodies of SMARTS, like OR operators... and we need an graphical editor to draw SMARTS queries... Egon -- Post-doc @ Uppsala University Homepage: http://egonw.github.com/ Blog: http://chem-bla-ics.blogspot.com/ PubList: http://www.citeulike.org/user/egonw/tag/papers ------------------------------------------------------------------------------ Come build with us! The BlackBerry(R) Developer Conference in SF, CA is the only developer event you need to attend this year. Jumpstart your developing skills, take BlackBerry mobile applications to market and stay ahead of the curve. Join us from November 9 - 12, 2009. Register now! http://p.sf.net/sfu/devconference _______________________________________________ Cdk-user mailing list Cdk-user@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/cdk-user
