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CRYSTALS Software
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CRYSTALS Workshops

We ran a workshop on twinning and the CRYSTALS software on the first day (6th August 2002) of the XIXth International Union of Crystallography Congress and General Assembly in Geneva, Switzerland.

Outline of program

09:30Richard Cooper:Talk & Demo - CRYSTALS for routine analyses
10:00Hands on:Routine structures.
10:30-- Coffee --
11:00Hands on:Poor Quality Structures
11:30Richard Cooper:External Tools (Squeeze, MCE3D)
11:45Lee Daniels:MSC's CrystalStructure
12:15Hands on:Quiz I
12:30-- Lunch break --
13:30Simon Parsons:Twinning
14:00Groups:Twinning problems
14:20Christer Svensson:Merohedral twinning & CrystalSolve
14:50Groups:More twinning problems
15:30 -- Coffee --
16:00Hands on:Twinned Examples (CRYSTALS and ROTAX)
16:30David Watkin:Tools (Editor, difficult refinements)
16:50Hands on:Complicated examples
17:30Hands on:Quiz II
17:45-- End --

Figure 1: CRYSTALS GUI
CRYSTALS GUI

During the workshop particpants were able to try CRYSTALS out on some sets of crystal structure data, including twinned examples.

Figure 2: Overview of the user interface of the forthcoming release
Overview of the user interface of the forthcoming CRYSTALS
 release



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