New WinGX for Windows (v 1.64.01) single crystal suite by Louis Farrugia
lzc at dl.ac.uk
Tue Apr 17 22:56:20 EST 2001
(apologies in advance if this accidentally appears twice)
There is a new 17th April 2001 version of the WinGX for Windows
single crystal suite by Louis Farrugia that can be downloaded
via the web. (v 1.64.01)
WinGX includes and/or seemlessly inter-links to a mega-wide variety
of single crystal software: data and model importing, indexing,
absorption correction, cell transformation, solution (Shelx 86/97,
Sir92/97, Patsee, Dirdif - and auto-structure building using PHASEX),
refinement (with the option of SXGRAPH - GUI interface for running
Shelxl97), structure viewing (Cameron, GUI WinORTEP, Struplo,
Pluton/Platon, Schakal, RasMOL, Gretep), Fourier contour map
generation and viewing; validation (including CIF validation,
Parst and Platon) and photorealistic structure rendering (Raster3D and
Povray based) - plus a few dozen or so extra useful programs.
There is also a new web based method to get a WinGX licence.
WinGX is freely available for not for profit research
and student use.
To use Shelx97 and Sir92/Sir97 you must be a registered user of these programs.
DIRDIF 99 for Windows is downloaded via the WinGX website:
however a licence file is required and can be obtained from
Paul Beurskens (E-mail - ptb at sci.kun.nl)
New features in 1.64 over the old 1.63 include:
* Some programs e.g. PLATON, SYMMOL, SORTAV have been updated.
* Support for data reduction for Nonius KappaCCD (Process Data & KCD
Image Tool) and SMART-SAINT systems. A GUI for the well known data
reduction program SORTAV is included in this enhancement.
* An easy GUI for adding/modifying user-defined menu items.
* The default reflection file is now set by a new menu item (Set HKL
file in Refine menu) so that SHELXL does not ask you which reflection
file to use each time it is run. The current reflection file is displayed
in the main program menu bar.
* A launch point for the new structure solution program SHELXD has been
* A number of changes have been made to SXGRAPH. Interprocess communication
between SXGRAPH and WinGX has been extended. For example it is now
possible to set the reflection file for refinement from within SXGRAPH
* SXGRAPH (GUI interface over Shelxl97) can now perform auto-Building of
trial structures using Dirdif's Phasex (called via the "Refinement,
Run PHASEX" menu option)
* Using the WinGX/SXGRAPH GUI, it is now possible to do seemless
importing, trimming and saving of structure fragments to DIRDIF
and Patsee formats for structure solution. (via the "File," menu)
Refer to enhancement list at:
A set of CCP14 based tutorial run-throughs are available via:
Lachlan M. D. Cranswick
Geochemistry - Lamont-Doherty Earth Observatory, Columbia University
PO Box 1000, 61 Route 9W Palisades, New York 10964-1000 USA
Tel: (845) 365-8662 Fax: (845) 365-8155
E-mail: lachlan at ldeo.columbia.edu WWW: http://www.ldeo.columbia.edu
CCP14 Xtal Software Website: http://www.ccp14.ac.uk
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