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Tutorials and Examples

Louis Farrugia's WinGX Single Crystal Suite

The CCP14 Homepage is at http://www.ccp14.ac.uk

[Tutorials page]

[What is WinGX?] | [Obtaining/Installing WinGX]
Basic Demonstrations: Starting Out and Utilities | Absorption Correction | Structure Solving | Structure Visualisation | Structure Refinement via WinGX | SXGRAPH Graphical User Interface over Shelxl | Hydrogen Calculation, Placement and Refinement Options | Photo Realistic Rendering of Structures | Fourier Map Generation and Viewing | Structure Quality Checking | WinGX for solving on Powder Data]

(Please note that the following only refers to a small subset of WinGX functionality. WinGX has a very large range of functionality and links to a wide variety of software. You should feel free to go exploring and browse around the help system and file menus.)

15th October 2001 Note: The mirroring script for grabbing the WinGX website was not working as advertised causing the software mirrors to be out of date for WinGX/WinPlaton/Ortep-3/GUI WinStruplo, etc. Apologies for this. The WinGX mirroring is now working in a reliable manner again. If you were using the mirrored sites, please recheck for updates (especially of WinPlaton which gets updated almost every day).

Homepages for Ortep-3, WinGX, WinStruplo, WinDIRDIF and Platon for MS Windows - Louis J. Farrugia


What is WinGX?

WinGX by Louis Farrugia (louis@chem.gla.ac.uk) is a single crystal suite that links into a very large range of crystallographic programs via the click of a button. WinGX handles all the file handling and puts very high quality Graphical User Interfaces (GUIs) over powerful crystallographic software. This includes data processing, crystallographic utility programs, spacegroup assignment, multiple types of absorption correction, links to multiple structure solution programs (including auto-building of the structure using DIRDIF's PHASEX option), structure refinement via Shelxl 97 and Crystals, various hydrogen searching and placement options, Fourier map generation, graphical visualisation, structure quality checking (including interlinking into Plato for Addsym and other functionality) structure validation and photo realistic rendering of the structure.


Obtaining/Installing WinGX

To use Shelx97 and Sir92/Sir97 you must be a registered user of these programs. If you have not already, go to these sites and register (free for academics) and register. While at it, get the latest Sirware (sir97) which can easily link into WinGX.

To obtain the WinGX or ORTEP licence files necessary for the programs to run, fill in the web form at:

Note: Many Email programs automatically put a .txt extension on the file. Rename these to WinGX-license and Ortep3-license without any file extension.


Installing the latest WinGX 1.64

Installing the latest Win DIRDIF 99 software

Installing the latest 32 bit Ortep-3 software


Homepages for Ortep-3, WinGX, WinStruplo, WinDIRDIF and Platon for MS Windows - Louis J. Farrugia


Starting Out and Utilities with WinGX


Absorption Correction using WinGX


Solving Structures via WinGX


Structure Visualisation using WinGX

  • using Cameron

  • Using Ortep

    • Automatically updating a modified Shelx RES file in Ortep-3

    • The Ortep-3 can also import other files such as Cameron, GSAS, LHPM/Rietica and Fullprof.
    • Be wary that Ortep cannot handle more than 96 symmetry operators and can get a bit nasty if only a single atom is present combined with a very high symmetry spacegroup. (e.g., Fe metal)

  • Using Platon for Windows (Pluton mode and ORTEP ADP mode)

Structure Refinement via WinGX


SXGRAPH Graphical User Interface over Shelxl


Hydrogen Calculation, Placement and Refinement Options via WinGX


Photorealistically Rendered Structure Output using WinGX


Fourier Contour Map Generation and Viewing using WinGX


Quality Checking of the Structure using WinGX


WinGX for solving on Powder Data


[Obtaining/Installing WinGX]
Basic Demonstrations: Starting Out and Utilities | Absorption Correction | Structure Solving | Structure Visualisation | Structure Refinement | Hydrogen Calculation, Placement and Refinement Options | Photo Realistic Rendering of Structures | Fourier Map Generation and Viewing | Structure Quality Checking | WinGX for solving on Powder Data]

[Tutorials page]

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