CCL: W:Any open-source software for generation of common chemical file format



 Sent to CCL by: sangeetha [srdshigella2001~!~yahoo.co.in]
 Hi,
 Did u use Babel.
 See this links helps.
 you can write a small script for doing a batch
 process.good luc!!
 http://openbabel.sourceforge.net/usage.shtml
 regards
 sangeetha.
 --- CCL <owner-chemistry~!~ccl.net> wrote:
 >
 > Sent to CCL by: "Lei  Huang" [hxbus!^!yahoo.com]
 > Dear CCLers:
 >
 > I need to convert some short peptide
 > sequences(hundreds of them) into one of the common
 > used chemical file formats (SDF,SMILES etc.) and
 > then use them in JOELib or CDK. I know it can be
 > done in some commerical packages. However, is there
 > any open source software out there that can perform
 > the same task in a batch manner? I'd appreciate if
 > you could give some clues.
 >
 > Lei Huang
 > M/C 563
 > University of Illinois at Chicago
 > Chicago, IL 60612
 > Email: hxbus AT yahoo DOT com
 >
 >
 >
 > -= This is automatically added to each message by
 > the mailing script =-
 > To send e-mail to subscribers of CCL put the string
 > CCL: on your Subject: line>
 > Send your subscription/unsubscription requests to:
 > CHEMISTRY-REQUEST~!~ccl.net
 > HOME Page: http://www.ccl.net   | Jobs Page:
 > http://www.ccl.net/jobs
 >
 > If your is mail bouncing from ccl.net domain due to
 > spam filters, please>
 >
 >
 >
 S.SANGEETHA
 CENTER FOR COMPUTATIONAL BIOLOGY
 JAWAHARLAL NEHRU UNIVERSITY
 NEWDELHI-110067
 __________________________________________________________
 Yahoo! India Matrimony: Find your partner now. Go to http://yahoo.shaadi.com