Re: CCL:software for supramolecule building and optimization

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" <marmart-.at.-sandia.gov>
 Sent by: "Computational Chemistry List"
 <chemistry-request-.at.-ccl.net>
 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
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