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![]() Annual Report 1996
Commission on Crystallographic Computing
The major activities of the Commission in 1996 centered around
further enhancements to the Commission's Web site (http://www.sdsc.edu/Xtal/IUCr/CC/CC.html),
the IUCr Congress in Seattle and the subsequent macromolecular
computing school organized by P. Bourne and K. Watenpaugh and
held at Western Washington University between August 17 and 22
.
The school was the seventh in a series of IUCr Crystallographic
Computing Symposia. There were 106 attendees from 16 countries;
of these 38 were either speakers or tutors. Of the remaining 68
attendees, 29 were graduate students, 12 were postdoctoral fellows,
9 were faculty, and 18 were from industry or elsewhere. The format
of the school was formal lectures in the morning, tutorials in
the afternoon, and software demonstrations and more lectures in
the evening.
The school covered the latest developments in macromolecular crystallographic
computing. Staring with data collection and processing and proceeding
to phasing, model building and refinement, and finally visualization.
There was also sessions dealing with the quantity and quality
of structures being generated and on updates of many of the common
software packages being used. Finally, there were sessions on
ancillary topics important to macromolecular crystallographers,
for example, object oriented programming, macromolecular CIF,
and the use of the Internet. Refer to the on-line editorial for
details of speakers and specific topics.
Draft proceedings were distributed to attendees of the school
and final papers will appear in the published proceedings. For
the first time at a computing school full proceedings are available
electronically via the World Wide Web (http://www.sdsc.edu/Xtal/IUCr/CC/School96/)
or via anonymous ftp from ftp.sdsc.edu in the directory
/pub/sdsc/societies/IUCr/School96. Individual papers can
be downloaded as Postscript files.
At the main congress the Commission sponsored a session on General
Advances and Application of Crystallographic Computing and was
organized by G. Kruger and P. Bourne and chaired by D. Viterbo.
Papers can be found in Acta Crystallographica A52sup.
C78-C79 (1996).
The Commission Web site has been updated to include: the mandate
of the commission, a list of current members, previous annual
reports, and the reports of recent schools.
The current project being undertaken by the Commission, with IUCr
sponsorship, is to develop a CD-ROM with standard data sets covering
all areas of crystallography. What constituents a standard data
set is presently being established by discussion among Commission
members.
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Please feel free to email any queries to:
a.l.spek@chem.uu.nl
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