WinGX Program Features

WinGX Program Features

  1. Utility programs to write initial model files, name.INS and STRUCT.CIF. Utility programs to operate on these files and import/export other file formats.
  2. Programs for data reduction of Enraf Nonius CAD4 and Siemens P4 diffractometer files. Some support for KappaCCD and SMART CDD data and a GUI for SORTAV.
  3. Graphical representation of the reciprocal lattice and reflection profiles.
  4. Numerous absorption corrections, including analytical, gaussian quadrature, spherical-crystal, psi-scans, DIFABS, XABS2 and MULTISCAN (Blessings method for multiple equivalents).
  5. Structure solution by DIRDIF-99, SHELXS, PATSEE and SIR-92, and an interface to SIR-97.
  6. Structure refinement with SHELXL-97
  7. Fourier maps, contouring, XHYDEX location of hydrogen atoms.
  8. Several graphics programs, including CAMERON, ORTEP-3, STRUPLO, PLUTON. Interfaces to SCHAKAL and RasMOL, and the ray-tracing programs POV-Ray and Raster3D. See examples of POV-Ray rendered pictures here.
  9. Programs for analysis of crystallographic results, including PLATON, PARST, THMA11
  10. Publication of CIF based files and tables, validation of CIF files using IUCr CIF checking algorithms. Interfaces to word processing packages e.g. MS-Word.
  11. User modifiable interfaces to other MS-DOS or MS-Windows programs.
  12. A very useful set of introductory TUTORIALS for WinGX has been made available at the CCP14 site (thanks to Lachlan Cranswick). The DOOBRY test data set for these tutorials is available here.
  13. WinGX may be used across networks. All WinGX programs accept either DOS or UNIX style ASCII files.

WinGX is provided free of charge for academic, scientific, educational and non-commercial users, provided its use is acknowledged. Due to licencing restrictions, the program is NOT AVAILABLE for commercial users.

A suitable reference for the WinGX package is

L. J. Farrugia, J. Appl. Cryst. (1999),32, 837-838.

DISCLAIMER Users of WinGX must be registered users of the SHELX programs and SirWare programs (SIR92, SIR97). It is the users own responsibility to register with the appropriate sources.

Author: Louis J. Farrugia

Department of Chemistry, Joseph Black Building,
University Of Glasgow, Glasgow G12 8QQ
Telephone +44 (0)141 330 5137
FAX +44 (0)141 330 4888

E-mail [email protected]

If you find any bugs with WinGX, please use the Bug Report Form

Please send any other comments, queries or complaints on WinGX to above email address. Check out the other software available from this site.