From chemistry-request@ccl.net Fri Dec 17 11:55:50 2004 Received: from gvedoh01.emea.givaudan.com (mail-external3.givaudan.com [57.66.141.4]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id iBHGtnLI009125; Fri, 17 Dec 2004 11:55:50 -0500 To: "Marcus Martin" Cc: chemistry-.at.-ccl.net, "Computational Chemistry List" Subject: Re: CCL:software for supramolecule building and optimization MIME-Version: 1.0 X-Mailer: Lotus Notes Release 5.0.11 July 24, 2002 Message-ID: From: andras.borosy-.at.-givaudan.com Date: Fri, 17 Dec 2004 18:11:45 +0100 X-MIMETrack: Serialize by Router on gvedoh01/H/Givaudan(Release 5.0.12 |February 13, 2003) at 17/12/2004 18:11:38, Serialize complete at 17/12/2004 18:11:38 Content-Type: text/plain; charset="iso-8859-1" X-Spam-Status: No, hits=2.0 required=7.5 tests=IMPRONONCABLE_1,NO_REAL_NAME autolearn=no version=2.61 X-Spam-Checker-Version: SpamAssassin 2.61 (1.212.2.1-2003-12-09-exp) on servernd.ccl.net Content-Transfer-Encoding: 8bit X-MIME-Autoconverted: from quoted-printable to 8bit by server.ccl.net id iBHGtoLI009129 Ask a free evaluation copies from each company, test them, then ask prices! Dr. Andras Borosy Seniour Scientist Delivery Systems, Fragrance Research Givaudan Schweiz AG Ueberlandstr. 138 8600 D|bendorf Switzerland tel: + 41-1-8242164 fax: +41-1-8242926 e-mail: andras.borosy-.at.-givaudan.com "Marcus Martin" Sent by: "Computational Chemistry List" 16.12.2004 01:48 To: chemistry-.at.-ccl.net cc: Subject: CCL:software for supramolecule building and optimization On Wednesday 15 December 2004 09:28, andras.borosy-.at.-givaudan.com wrote: > At microscopic level: Materials and Processes Simulations (MAPS) platform > of Scienomics (www.scienomics.com). > Or Material Studio of Accelrys for both (but it does not give you the best > performance/price ratio). How can you tell? While the snapshots on the Scienomics website do look nice I don't see any information about 1) What simulation/quantum codes are actually contained in the MAPS package? 2) How much it costs to purchase MAPS? 3) Exactly which analysis tools are already implemented in this interface? Is this product really available? The only mention of release dates that I found is strictly in the future tense "pleased to announce that it will be releasing the first version of its platform for Materials and Processes Simulations (MAPS) in fall 2004" If anyone out there has the answers to these questions I would be quite interested in hearing them as I have been looking for a good interface to wrap around my Monte Carlo code, but have been disappointed by other folks making similar claims in the past. thanks, Marcus -- Marcus G. Martin Senior Member of Technical Staff Computational Materials and Molecular Biology Sandia National Laboratories PO Box 5800 MS 1110 Albuquerque NM 87185-1110 v. 505 284-6355 f. 505 845-7442 http://www.cs.sandia.gov/marcusmartin/ http://towhee.sourceforge.net -= 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 mail is bouncing from CCL.NET domain send it to the maintainer: Jan Labanowski, jlabanow-.at.-nd.edu (read about it on CCL Home Page) -+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+