On Tue, 2005-08-30 at 12:06 +0200, Egon Willighagen wrote: > On Tuesday 30 August 2005 11:48 am, Rajarshi Guha wrote: > > If the former then along with the text, if structures could be converted > > to SMILES that would be useful. Similarly, reactions could be converted > > to a similar format. > > I don't think indexing SMILES makes much sense, as you don't know which > canonicalisation is used, and Kat does not have any structure draw facility > anyway... Or am I missing your point?
I was actually considering extracting drawings and converting them to SMILES - though I think this would be a very tough thing to do! ------------------------------------------------------------------- Rajarshi Guha <[EMAIL PROTECTED]> <http://jijo.cjb.net> GPG Fingerprint: 0CCA 8EE2 2EEB 25E2 AB04 06F7 1BB9 E634 9B87 56EE ------------------------------------------------------------------- Q: Why did the mathematician name his dog "Cauchy"? A: Because he left a residue at every pole. ------------------------------------------------------- SF.Net email is Sponsored by the Better Software Conference & EXPO September 19-22, 2005 * San Francisco, CA * Development Lifecycle Practices Agile & Plan-Driven Development * Managing Projects & Teams * Testing & QA Security * Process Improvement & Measurement * http://www.sqe.com/bsce5sf _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
