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IUCr 1997 Report - Commission on Crystallographic Computing

The Commission's Web page (http://iucr.sdsc.edu/iucr-top/comm/ccom/index.html)  has proved to be a popular form of access to the activities of the Commission. For example, since the page for the 1996 Computing School was officially announced in March of 1997 there have been 27090 web hits on pages containing papers presented at the 1996 School. Towards the end of 1997, well after the announcement, there were 17 ftp downloads of PostScript versions of the papers per day. This form of accessibility to school proceedings is clearly a success; however, there is still a need for producing the printed volume. Authors need to be able to cite a specific reference, libraries should be encouraged to stock the volume, and many crystallographers enjoy reading the complete volume in the form of a book rather than a series of printouts of web pages. The published Proceedings referred to as Crystallographic Computing 7, will appear as part of the IUCr/OUP Book Series in 1998.

A Computing School is planned as a satellite to the 1999 Glasgow Congress. The School is being organized by G. Bricogne and co-organized by J. Irwin, A. Bloomer, and D. Watkin ( Commission member). The School (Frontiers in Computational Crystallography) will be held at the Hinxton Science Park near Cambridge, UK, 14 - 20 August 1999, following the main Congress. The School will be limited to 100 scientists and students who will receive lectures and hands-on teaching in the computational aspects of crystallography. Readers are referred to the Commission's web page given above to keep abreast of the latest developments for the School.

Current activities of the Commission are focused on the use of software and standard data in determining and improving the accuracy of crystallographic experiments, whether it be from powder diffraction, small molecules or macromolecules. The goal continues to be to provide a CD ROM of appropriate data sets with documentation to the community at the Glasgow Congress. The same material will be available from the Commission's web site. To complement these activities an Open Meeting of the Commission will be held at the Glasgow Congress where key software developers will be invited to talk about codes they have developed relating to accuracy and validation.

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Updated 20th October 1998

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