Commission on Crystallographic Computing

Proposal for creation of ECA (European Crystallographic Association) Computing SIG

[Oxford University logo]Chemical Crystallography Laboratory
9, Parks Road
Oxford, OX1 3PD

Tel 01 865 270 826
FAX 01 865 272 699


Monday 29 November, 1999

Prof Carmelo Giacovazzo
Dipartmento Geomineralogico
Via Orabona 4
I-70125 BARI, Italy

Dear Prof Giacovazzo,

This summer I was elected Chairman of the IUCr Computing Commission, and I write to you to seek your support for setting up an ECA Computing Sig. I have been in E-mail contact with many active crystallographic programmers, and am sure that there is strong support for such a 'sig'.

The rules for setting up a sig require that we:

a: Find 4 Proponents, who must be council members.

Appended are letters of support from

  • Frank Allen (UK)
  • Jindrich Hasek (CZ)
  • Claude Lecomte (F)
  • Margareta Zehnder (CH)

b: Find 2 or more Promoters.

These are currently

  • Davide Viterbo
  • Claude Lecomte
  • Lachlan Cranswick
  • Sacha Urzhumtsev
  • David Watkin

c: Provide a list of Founder Members.

These include:

Allen, Frank; Bailly, Sue; Bernstein, Joel; Beurskens, Paul; Cascarano, Gianluca; Cranswick, Lachlan; Dodson, Eleanor; Flack, Howard; Hasek, Jindrich; Kaftory, Manahem; Lecomte, Claude; Mallinson, Paul; Neuburger, Markus; Podjarny, Alberto; Prout, Keith; Spagna, Riccardo; Spek, Anthony; Steigemann, Wolfgang; Turk, Dusan; Urzhumtsev, Sacha; Viterbo, Davide; Watkin, David; Winn, Martyn

d: Provide a document setting out the aims of the sig.

Aims of the Crystallographic Computing SIG

The principal aim of the Crystallographic Computing SIG is to promote an active and vigourous crystallographic computing community. It can achieve this by:

  1. Organising microsymposia at every ECM
  2. Participating at other meetings and micro-symposia.
  3. Participating at Schools
  4. Seeking opportunity to raise crystallographers awareness of the importance of continuing software development.
  5. Seeking opportunity to introduce young crystallographers to software development.
  6. Encouraging diversity in crystallographic software development, and encouraging software users to be adventurous and open-minded.
  7. Providing support and assistance to each other.

e: Set out the Preliminary Rules for the sig.

I propose the following:

1 The Name shall be:

' Crystallographic Computing Special Interest Group'

2 The Initial Officers shall be:

  • Davide Viterbo - Acting Chairman
  • David Watkin - Acting IUCr Computing Commission Representative
  • A N Other - Acting Secretary (to be chosen by Viterbo)

3 The Initial Officers shall be responsible for organising an Inaugural Session at the ECM in Nancy, 2000. The Agenda for that session shall include:

  • Make up of Committee
  • Chairman
  • Vice-Chairman
  • Secretary
  • Number of Ordinary Members
  • Period in Office of Officers
  • Election of Officers
  • Activities of SIG
  • Microsymposia at ECMs
  • Web pages
  • Software presentations and evaluation
  • Establishing a software competition and prize for 'young' crystallographers.
  • Software 'Fairs'

f. Plans for first meeting.

Claude Lecomte, Davide Viterbo and I have already arranged for a Microsymposium at Nancy.

I hope you can agree that all the rules have been satisfied, and that you can proceed with the formal creation of the SIG.

Yours sincerely

copy to:
Davide Viterbo
Claude Lecomte
Lachlan Cranswick
Sacha Urzhumtsev
David Watkin

From Tue Nov 9 08:41:09 1999
Date: Wed, 27 Oct 1999 15:05:05 +0200
From: Margareta Neuburger-Zehnder <>
To: David Watkin <>
Subject: Re: Proposed Computing Special Interest Group

Dear David,

I am enthusiastic about setting up an ECA Computing Special Interest Group
(SIG) for the following reason:

Europe has a strong tradition of designing and developing crystallographic
software. As the design of software becomes more complex to meet new
challenges, it is important that developers and writers in Europe work
together and benefit from each others experience. A Special Interest Group
will help to mate this possible, so I strongly support the proposal.

I wish you a good start.

Sincerely yours
Prof. Dr. Margareta Zehnder
Institut fuer anorganische Chemie, Spitalstr. 51, CH-4051 Basel, Switzerland

From Tue Nov 9 08:39:12 1999
Date: Wed, 20 Oct 1999 09:31:49 +0100 (BST)
From: Frank Allen <>
Subject: Re: Proposed Computing Special Interest Group

Dear David

I fully support the creation of the ECA SIG you have indicated. Since the
rules state you need the support of 4 Council Members, count me well and
truly IN. You should have no trouble with others either.


From Tue Nov 9 08:41:50 1999
Date: Fri, 29 Oct 1999 17:40:05 +0200
From: hasek <>
To: David Watkin <>
Subject: Re: Support and proposals to CCSIG

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Subject: SIG for Crystallographic Computing of ECA (CCSIG)

This is my letter to support setting up the SIG for Crystallographic Computing
during the ECM-19 in Nancy and my offer to help with any problems
that I should be able to understand.

I am very glad to hear about this new SIG. I'd like to stress that
CCSIG seems to be of high importance in comparison with others
namely because it joins very specialized people with their own interests,
however, scattered over all the crystallography. The closer cooperation
between programmers could help with better compatibility between
the programs and ,as result, to make them more user friendly.

It is really benefit for all the crystallographic community.

With best regards
Jindrich Hasek

From Tue Nov 9 08:51:36 1999
Date: Tue, 02 Nov 1999 08:19:20 +0000
From: Claude LECOMTE <>
To: David Watkin <>
Subject: Re: Proposed Computing Special Interest Group

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Dear David,

Just a few phrases to tell you that I strongly support the SIG related to
computing Crystallography; Europe has a lot of researchers very active in
this field and almost all softwares available come from european labs .

This community of collegues has to put their work and ideas together ,and a
SIG is the best way to coordinate that


Prof Claude Lecomte
Univ Henri PoincarÚ Nancy1
BP 239 ,54506 Vandoeuvre-les-Nancy cedex
tel 33383912267 ,66
fax 33383406492


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