Re: 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