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CCP14

Methods, Problems and Solutions

Face Indexing Absorption Correction and Viewing of Crystals

The CCP14 Homepage is at http://www.ccp14.ac.uk
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[Software - Software for Viewing Crystal Faces |
Software for Determining the Indices | Software with Face Absorption Correction | Face indexing algorithms/methods]

Available software to Visualise Crystal Shape from Faces

  • WULFFMAN for UNIX ("An Interactive Crystal Shape Constructor") (Andrew Roosen, Ryan McCormack, W. Craig Carter )

  • "Wulffman is a program for interactively examining the Wulff shapes of crystals with specified symmetries. The Wulff shape is the shape that possesses the lowest surface energy for a fixed volume, and hence represents the ideal shape that the crystal would take in the absence of other constraints." Executables for UNIX and source code are provided.

  • At: http://www.ctcms.nist.gov/wulffman/

  • CCP14 UK Mirror: [CCP14 UK Mirror]
Louis Farrugia's WinGX Single Crystal suite for Windows includes a program called XtalView to view Crystal shapes after defining their faces.

Refer to CCP14 based WinGX tutorial on XtalView and Entering Faces for the First Time

Within Ton Spek's Platon for UNIX and DOS (Windows version of Platon is available from Louis Farrugia's site - above) - titled XTAL HABIT

Platon - Ton Spek, Bijvoet Center - Utrecht University

Platon - Ton Spek

Software for Determining the Indices

  • GAMATCH for determining the indices of faces from measurements of the interfacial angles. Fortran source code. [CCP14 Mirror]

Available software that will perform face indexed absorption correction on single crystal data

Louis Farrugia's WinGX Single Crystal suite for Windows has a number of face indexing absorption options

Refer to the tutorials for WinGX and using its absorption correction options are available via the WinGX tutorial homepage.

Ton Spek's Platon has face indexing absorption options. Platon - Ton Spek, Bijvoet Center - Utrecht University

Platon - Ton Spek

Face indexing algorithms/methods as a possible effective replacement for empirical absorption and DIFABS style approaches for absorption correction.

EUHEDRAL (previously called FaceLift) - Martin Lutz, Bijvoet Center - Utrecht University

EUHEDRAL (previously called FaceLift) - Martin Lutz, Bijvoet Center - Utrecht University

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