New version of the WinGX Single crystal suite by Louis Farrugia

L. Cranswick l.m.d.cranswick at
Mon Dec 10 11:22:56 EST 2001

There is a new version of WinGX by Louis Farrugia which is freely
available for academic and student users via the internet.  
Existing licence files will work with the new version.

New additions include a preliminary GUI for Shelxd; twin menu which
implements Simon Parson and Bob Gould's ROTAX and creates HKLF5 files; 
can spawn Crystals (Watkin, Cooper, et al) as well as Shelxl (George 
Sheldrick) for structure refinement; Larry Finger's VOLCAL for 
calculating polyhedral volumes has been added.  

WinGX homepage:

CCP14 Mirrors:


WinGX Download:

CCP14 Mirrors:

The complete list of new options are:

 (a) preliminary GUI for SHELXD
 (b) minor changes to KappaCCD Data Processing and MAPVIEW GUI's
 (c) new TWIN menu which implements ROTAX (thanks to Simon Parsons)
 and Make HKLF5 (LJF).
 (d) options to import/export SORTAV reflection files and to add
 a batch number to free format import of reflections files
 (e) option to use huge version of SHELXL-97 for very large
 structure. This option is set from Shelxl panel in WinGX Preferences 
 (f) If WinGX detects that a recent Windows version of Crystals
 (David Watkin and coworkers - Oxford) is installed, a new menu
 item on the Refine menu is added. This allows users to transfer
 data easily between WinGX and Crystals - it is anticipated that
 this interface will improve with time. Thanks to Richard Cooper
 for much helpful advice in this matter.
 (g) the number of job subdirectories which WinGX will recognise
 has been increased from 200 to 500
 (h) new program added as a quick test of data quality for
 high-redundancy data sets (e.g. from area detectors).This
 is executed from the KappaCCD Data Processing GUI.
 (i) two new reflection filter routines have been added to replace
 Data-HKL EDIT-APPLY LIMITS. These are more flexible than the
 previous routines, and may be accessed from the Data-HKL EDIT
 menu and the KappaCCD-Process data GUI.
 (j) Larry Finger's routine VOLCAL which calculates polyhedral
 volumes has been added.
 (k) The options on the Help menu which select individual document
 files now use the Windows shell to open them. As a result, if
 the requisite program is already running, the document will be
 loaded into that instance, rather than launching a new instance. 

Lachlan M. D. Cranswick
Collaborative Computational Project No 14 (CCP14)
    for Single Crystal and Powder Diffraction
  Birkbeck University of London and Daresbury Laboratory 
Postal Address: CCP14 - School of Crystallography,
                Birkbeck College,
                Malet Street, Bloomsbury,
                WC1E 7HX, London,  UK
Tel: (+44) 020 7631 6849   Fax: (+44) 020 7631 6803
E-mail: l.m.d.cranswick at

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