From chemistry-request ":at:" ccl.net Wed Jul 6 15:28:24 2005 Received: from fenyo.mail.t-online.hu (fenyo.mail.t-online.hu [195.228.240.95]) by server.ccl.net (8.13.1/8.13.1) with ESMTP id j66JSIsW028176 for ; Wed, 6 Jul 2005 15:28:19 -0400 Received: from chemaxon.com (a84-0-129-119.adsl-pool.axelero.hu [84.0.129.119]) by fenyo.mail.t-online.hu (8.13.4/8.12.11) with ESMTP id j66JSFsX054722 for ; Wed, 6 Jul 2005 21:28:17 +0200 (CEST) Message-ID: <42CC30CF.3090704:at:chemaxon.com> Date: Wed, 06 Jul 2005 21:28:15 +0200 From: Miklos Vargyas User-Agent: Mozilla/5.0 (X11; U; Linux i686; en-US; rv:1.6) Gecko/20040113 X-Accept-Language: en-us, en MIME-Version: 1.0 To: chemistry:at:ccl.net Subject: Re: CCL: Concord/Corina replacements for Linux X-Enigmail-Version: 0.90.2.0 References: <42CC22D9.2090909:at:pobox.com> In-Reply-To: <42CC22D9.2090909:at:pobox.com> Content-Type: text/plain; charset=us-ascii; format=flowed Content-Transfer-Encoding: 7bit X-VBMilter: scanned X-Spam-Status: No, score=0.1 required=5.0 tests=FORGED_RCVD_HELO autolearn=failed version=3.0.4 X-Spam-Checker-Version: SpamAssassin 3.0.4 (2005-06-05) on server.ccl.net Hi Andy, try Marvin! It is available on the internet, just follow the link below: http://www.chemaxon.hu/marvin/sketch/demo-applet.html Draw a structure in the sketch window, then select Edit->Clean->3D. Then you can either pop up a 3D viewer (View->Open 3D viewer) or save the 3D structure in a suitable file (e.g. mol). In case you need to convert many structures the MolConverter tool comes handy as it can batch process your molecules. You may wish to visit the molconverter page at http://www.chemaxon.hu/marvin/doc/user/molconvert.html. Regards, Miklos Andrew D. Fant wrote: >Good afternoon all, and thanks to everyone who responded to my previous >questions about openbabel and descriptor code. I have one other >question about software that has come up. Can anyone recommend a >program that can generate 3D structures of any quality of all from 2D >representations? I know that Concord and Corina can do this, but I am >doing this for my own education/edification and would rather not blow >the rent money on this project. I'm hoping to take some data I have >pulled from various publications on my laptop on a train trip and putter >with it en route, so a web-based tool is less than ideal. If anyone has >any suggestions, I would be most appreciative. > >Thanks, > Andy > > >-= 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 >and send your message to: CHEMISTRY:at:ccl.net > >Send your subscription/unsubscription requests to: CHEMISTRY-REQUEST:at: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 >use the Web based form from CCL Home Page >-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+ > > > > > > > >