chem cryst
CRYSTALS Software
University of Oxford

Home
 -Crystals
+ Download
 Copyright
 News and Fixes
 + Bug Report
 Mailing list
 + Documentation
 Wiki
 Tutorial
Workshops
Screenshots
 Obsolete
+ Research
 Contact
 Lectures
 + Links
 + Gallery
CSD installation
 Chemistry Dept
 Division
 University of Oxford

chem cryst news

5 June 06 >> CRYSTALS Version 12.84 replaces 12.83.
Arie van der Lee has implemented a Archive/Restore facility in Cameron. As usual, more small cif enhancements (thanks to Bill Clegg). Improved hydrogen prediction on methyls, thanks to Simon Parsons complaining about the old method. List of fixes.
21 Jan 06 >> IUCr Computing Commission Newletter No 5 . contains an article comparing facilities in CRYSTALS, SHELXL and SIR
21 Jan 05 >> Richard Cooper has moved to Oxford Diffraction.
11 Oct 04 >> An updated CRYSTALS wiki is available. [Recent Changes].
05 Jul 05 >> Updated manuals are now available as PDF files. These files are not generated automatically, but reflect the manuals as of 5 July 2005. Contact the authors if you require a slightly updated version.
20 July 04 >> An article has been published in J. Appl. Cryst giving details of the refinement of atoms continously disordered along a line, on a ring, or on the surface of a sphere (the "special shapes" facility in CRYSTALS).
2 July 04 >> The X-ray crystallographic structure analysis software CRYSTALS is being distributed from our website at an ever increasing rate, which has now risen to more than 6000 downloads a year... more....
18 Feb 04 >> A couple of photos of the diffraction equipment in its new home. In addition, Karl Harrison has made some 360° panoramas from various locations in the building, including the diffraction suite (basement of the office building).
Other news >> Details of crystallographic meetings, jobs, and developments are available on the IUCr notices page.


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



[Download | Copyright | News and Fixes | Bug Report | Mailing list | Documentation | Wiki | Tutorial | Workshops | Screenshots | Obsolete ]

Crystals Now!  Manuals NOW!

© Copyright Chemical Crystallography Laboratory, Oxford, 2006. Comments or queries to David Watkin - david.watkin@chem.ox.ac.uk Telephone +44 1865 285019. This page last changed on Tuesday 25 March 2003. The website was re-generated on Wednesday 8 November 2006. Choose your nearest mirror for faster access: [ Original | CCP14 UK Mirror | CCP14 Canadian Mirror | CCP14 USA Mirror | CCP14 Australian Mirror ]
Authorised people, edit: this file, news, tree, template, stylesheet. Rebuild website.