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[sdpd] DASH release
Dear Colleagues,
CCDC is delighted to announce that DASH is now available for free
evaluation and for sale.
A DASH product page is not yet available on the CCDC website (but soon will
be !), so here is some information:
CCDC and CLRC (the UK Central Laboratory of the Research Councils) are
collaborating to distribute and develop DASH, a software package written by
Prof Bill David and Dr Kenneth Shankland at the Rutherford Appleton
Laboratory, UK. DASH implements a global optimisation approach to structure
solution.
DASH is able to:
- Solve structures from indexed synchrotron and monochromatic laboratory
X-Ray powder data
- Solve the crystal structures of molecules comprising up to 16 flexible
torsion angles and more than 40 non-hydrogen atoms
- Handle salt systems, solvates, and structures with more than one molecule
in the asymmetric unit
DASH features:
- An easy to use interface, supported on Windows operating systems
- Automatic background fitting and subtraction
- Peak fitting with an asymmetry-corrected Voigt function
- Quick and easy profile fitting
- A highly efficient simulated annealing algorithm that adjusts a trial
molecular structure within an indexed cell in order to maximise the
agreement with the intensities extracted during the profile fit
- Easy graphical evaluation of candidate solutions using CCDC's new
visualisation program Mercury (included)
This is probably not the right forum on which to discuss price, but I
should perhaps say that the cost to academics starts at $750 for a single
node-locked licence for the first year, with $500 per year subsequently in
maintenance (of course this is optional). For further details or for
industrial / commercial pricings, please contact admin...@ccdc.cam.ac.uk .
Also please contact admin...@ccdc.cam.ac.uk if you would like a free
evaluation of DASH. There will be an evaluation licence agreement to sign -
you will then be able to download the software from a password-protected
website.
Best Regards,
Steve Maginn
=====================================================
Dr. Stephen J. Maginn,
Support and Marketing Manager,
Cambridge Crystallographic Data Centre (CCDC),
12 Union Road,
Cambridge CB2 1EZ, UK
phone +44 (0)1223 762534
FAX +44 (0)1223 336033
e-mail maginn...@ccdc.cam.ac.uk
http://www.ccdc.cam.ac.uk
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