Commission on Computing

Chairman: P.E. Bourne (USA) San Diego Supercomputer Center PO Box 85608 San Diego CA 92186-5608 Telephone: 1 (619) 5348301 Fax: 1 (619) 5345113 Email: bourne@sdsc.edu WWW: http://www.sdsc.edu/~bourne

Introduction

The IUCr Computing Commission (IUCrCC) is one of several International Union of Crystallography Commissions and is responsible for supporting activities relating to crystallographic computing. This page reports on those activities and provides background information.

Updated 9th September 1998

IUCr Computing Commission Webmaster

IUCrCC Mandate

Establishment of a Commission on Crystallographic Computing (circa 1960)

After the close of the Fourth General Assembly, the Executive Committee appointed an ad-hoc Committee to consider what action the Union could take with respect to a number of questions raised at that Assembly concerning crystallographic computing. The final report of this ad-hoc Committee was sent to the National Committees in June as an appendix to the Agenda, and it is added to these Minutes as Annex I, Appendix C (b) (see p. 19).

Following the recommendation of the ad-hoc Committee, the Executive Committee proposed that a Commission on Crystallographic Computing be set up, with the following terms of reference:

(a) The Commission shall promote the collection and disseminatin on an international scale of information relating to crystallographic computing, with special reference to general-purpose digital computers;

(b) The Commission may undertake any activity related to crystallgraphic computation;

(c) The Commission shall have power to appoint: (i) Consultants to assist and advise in all matters relating to specific machines, and (ii) Regional Correspondents to assist in the collection and distribution of information on a geographical basis.

After a short discussion, during which the General Secretary explained that the Executive Committee had already presented nominations for the new Commission subject to the approval of its establishment by the General Assembly, the Assembly approved the formation of a Commission on Crystallographic Computing with the above terms of reference, and decided that its elected membership should be five.

Appendix C: Reports of the ad-hoc Committees

Ad-hoc Committee on Computing Methods

After due consideration of the varied needs of those engaged in crystallographic computing, of the existing methods of sharing information, and of probable future trends, the Committee advised the Executive Committee at its meeting in Leningrad that there appears to be a need for an international scheme for collecting, cataloguing and digesting, and redistributing information relative to digitial computers suitable for crystallographic work and the crystallographic programs available for each. The Committee considered that the work warranted the establishment by the Union of a new Commission, and recommended its formation. In reponse to a request from the Executive Committee, the Committee has since drafted terms of reference for the Commission, and made recommendations as to its name and composition. (A summary of these appears in the Annual Report of Executive Committee for 1959.) The Committee has discussed in detail and made recommendations on the types of information to be sought, the procedures best suited to its collection and redistribution, and the most useful ways of summarizing and comparing the data. 6 May 1960 D. Rogers, Chairman

IUCrCC Membership

Dr. Philip E. Bourne (Chairman)
San Diego Supercomputer Center
PO Box 85608
San Diego CA 92186-9784
Phone (+1-619)5348301
Fax   (+1-619)5345113
E-mail bourne@sdsc.edu
Home Page   http://www.sdsc.edu/~bourne

Dr Giovanni Luca Cascarano
CNR IRMEC - c/o Dipartimento Geomineralogico
Via Orabona 4
I-70125 Bari
Italy
phone: 39(80)5442624
fax: 39(80)5442591
cryst@arba.ba.cnr.it

T. Higashi

Professor Morten Kjeldgaard
Dept. of Chemistry
Aarhus University
DK-8000 Aarhus C.
Denmark
Phone: 45()89423333x3877
fax: 45()86196199
morten@oase.kemi.aau.dk

Dr. Tibor Koritsanszky
Institute for Crystallography
Free University Berlin
Takustr. 6. 14195 Berlin, Germany
Phone: 49(30)8383450
Fax:   49(30)8383464
email: tibor@chemie.fu-berlin.de

Dr. M. Ramanadham
Solid State Physics Division
Bhabha Atomic Research Centre
Trombay
Bombay 400085
India.
Phone  (+91-22)5563060 xn 3761
Fax  (+91-22)5560750
E-mail  ramu@magnum.barct1.ernet.in

Prof. Jim Simpson
Dept. of Chemistry
University of Otago
PO Box 56
Dunedin
New Zealand
Phone: 03 479-7914
Fax: 03 479-7906
jsimpson@alkali.otago.ac.nz

Dr Anthony L. Spek
Lab. voor Kristal- en Structuurchemie
U. Utrecht
Padualaan 8
3584 CH Utrecht
The Netherlands
phone: 31(30)532538
fax: 31(30)533940
spea@chem.ruu.nl

Dr. David Watkin
Chemical Crystallography Lab.
Univ. of Oxford
9 Parks Road
Oxford  OX1 3PD - GB.
Phone   (+44-865)270826
Fax   (+44-865)272690
E-mail   watkin@vax.oxford.ac.uk

Consultants
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Prof. G.J. Kruger
Dept. of Chemistry & Biochemistry
Rand Afrikaans Univ.
Auckland Park
Johannesburg 2006
South Africa.
Phone  (+2711)4892368
Fax  (+2711)4892363 or ...09,
E-mail  kruger@chemie.rau.ac.za  or  gjk@rau3.rau.ac.za

Dr. Davide Viterbo
Dip. di Chimica Inorganica, Fisica e dei Materialli
Via P. Guria  7
I-10125 Torino
Italy
Phone:  (39 11) 670 75 15
Fax:  (39 11) 670 78 55
E-mail: viterbo@silver.ch.unito.it