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Tutorials and Examples

Louis Farrugia's WinGX Single Crystal Suite

Using WinGX, Ortep-3 and Rastep to create Standard Rendered ORTEPS with transparent Van Der Waals spheres

The CCP14 Homepage is at http://www.ccp14.ac.uk
[Tutorials page] | [WinGX Tutorial Index] | [WinGX Rendered Structures Index]

The following do not show WinGX rendering at its best, refer to the Gallery at Louis Farrugia's site - [Home Site | CCP14 UK Mirror | CCP14 Canadian Mirror | CCP14 Australian Mirror]

  • Open up the structure in WinGX (in this case the ladd5c structure from Marcus Bond's web site).

  • summary after opening up the ladd5c file

  • Call up ORTEP3 via the Graphics, ORTEP3 command. In ORTEP, open up the required file.

  • Opening a file in ORTEP

  • Choose the packing and orientation you would like to render.fs

  • Structure in Ortep

  • Choose the packing and orientation you would like to render. Then write out a Raster 3D file using File, Write RASTER 3D File

  • In ORTEP, Writing a Raster 3D file for WinGX

  • Going back to WinGX, enter the RASTEP menu system by Graphics, Raster3D, RASTEP and Select Display VdWaals surface which is one of the control panel options.

  • Entering RASTEP in WinGX

  • Enter the options you require (Calculate Shading and GoldenRod colour for bonds are my favourites) and then decide what resolution you want to render a TIF file as (640x512; 1280x1024; 2560x2048)

  • Setting options in RASTEP

  • A RASTEP output window will then tell you what happened, ready now to actually RENDER the TIF.

  • RASTEP output Window

  • Now to render the TIF, file run Graphics, Raster3D, RENDER

  • File displayed in LVIEW

  • This produces a raster3d.tif which can now be viewed using the Graphics, Raster3D, View TIF File option (if this has been setup in the WinGX File, System, Setup, System2 menu system). In the following screen view, the lview software from www.lview.com has been linked into WinGX.

    Note: Because GIF files are only 256 colours, the original rendered TIF files look of much higher quality

  • Graphics Output

[Tutorials page] | [WinGX Tutorial Index] | [WinGX Rendered Structures Index]
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