From owner-chemistry@ccl.net Fri Nov 25 15:35:00 2005 From: "Igor Filippov Contr igorf{:}helix.nih.gov" To: CCL Subject: CCL: STRUCTURES TO SMILES Message-Id: <-30070-051125124644-26675-BiL21x1fDol12XcdN5tYxQ() server.ccl.net> X-Original-From: "Igor Filippov [Contr]" Content-Transfer-Encoding: 7bit Content-Type: text/plain Date: Fri, 25 Nov 2005 11:47:14 -0500 Mime-Version: 1.0 Sent to CCL by: "Igor Filippov [Contr]" [igorf-x-helix.nih.gov] No offense but questions like that make me wonder if people have stopped even trying to do something themselves, instead preferring just to dump it on the maillist in hopes somebody will do the job for them. Have you tried using Google ? It's quite a powerful tool for finding things. As for the answer to the question CACTVS, Pipeline Pilot, Daylight Toolkit all provide this functionality. In fact it's hard to find a chemoinformatics toolkit that DOESN'T do conversions to/from SMILES. If you just want something that converts a drawn structure into SMILES Java Molecular Editor as well as a dozen other applications will do the trick. If you only want to convert one or two structures you're welcome to use online tools at http://cactus.nci.nih.gov (e.g. - Online SMILES Translator). Igor On Fri, 2005-11-25 at 11:00, ragubalaji n ragubalaji_._gmail.com wrote: > Sent to CCL by: "ragubalaji n" [ragubalaji::gmail.com] > Hi all, > > I am looking for tool where SMILES strings can be generated from structures or connectivity tables. Could anybody tell me where I can find it? > Thank you very much. > > ragu > Bangalore > ragubalaji[#]gmail.com>