From chemistry-request $#at#$ server.ccl.net Fri Jul 19 12:13:16 2002 Received: from erouter0.it-datacntr.louisville.edu ([136.165.1.36]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id g6JGDGK15166 for ; Fri, 19 Jul 2002 12:13:16 -0400 Received: from gwise.louisville.edu (gwise.louisville.edu [136.165.1.106]) by erouter0.it-datacntr.louisville.edu (Postfix) with ESMTP id 0685A41012 for ; Fri, 19 Jul 2002 12:13:15 -0400 (EDT) Received: from gwgate-MTA by gwise.louisville.edu with Novell_GroupWise; Fri, 19 Jul 2002 12:13:00 -0400 Message-Id: X-Mailer: Novell GroupWise Internet Agent 6.0.2 Beta Date: Fri, 19 Jul 2002 12:12:47 -0400 From: "Daquan Gao" To: Subject: Re: CCL:cartesian to pdb Mime-Version: 1.0 Content-Type: text/plain; charset=US-ASCII Content-Transfer-Encoding: 7bit Content-Disposition: inline Babel can only convert from one format to another, assiging residue names is not a simple conversion problem, it requires a search and compare strategy according to standard residue topologies. >>> eric hu 07/18/02 12:56 PM >>> Of course I tried Babel first which I thought is the standard way to do this kind of thing. However babel can not assign the correct residue name according the cartesian coordinates (with the atom types). Eric --- eric hu wrote: > Hi, I wonder if there is an easy way to change the > cartesian coordinates to pdb format. Thanks! > > Eric > > __________________________________________________ > Do You Yahoo!? > Yahoo! Autos - Get free new car price quotes > http://autos.yahoo.com > > > -= This is automatically added to each message by > mailing script =- > CHEMISTRY ":at:" ccl.net -- To Everybody | > CHEMISTRY-REQUEST[ AT ]ccl.net -- To Admins > Ftp: ftp.ccl.net | WWW: > http://www.ccl.net/chemistry/ | Jan: jkl:~at~:ccl.net > > > > > __________________________________________________ Do You Yahoo!? Yahoo! Autos - Get free new car price quotes http://autos.yahoo.com -= This is automatically added to each message by mailing script =- CHEMISTRY #at# ccl.net -- To Everybody | CHEMISTRY-REQUEST #at# ccl.net -- To Admins Ftp: ftp.ccl.net | WWW: http://www.ccl.net/chemistry/ | Jan: jkl(+ at +)ccl.net