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[dddwg] Bergen workshop programme

  • To: dddwg@iucr.org
  • Subject: [dddwg] Bergen workshop programme
  • From: Brian McMahon <bm@iucr.org>
  • Date: Tue, 26 Jun 2012 17:34:44 +0100
Dear Colleagues

I attach the programme for the DDD workshop at Bergen on August 6th.
We are hoping to provide a programme booklet for attendees, and I
would be grateful if any of the speakers still to submit an abstract
would kindly send it to me by 1st July for incorporation in the booklet.

We look forward to seeing you there!

Best wishes
Brian and John
_________________________________________________________________________
Brian McMahon                                       tel: +44 1244 342878
Research and Development Officer                    fax: +44 1244 314888
International Union of Crystallography            e-mail:  bm@iucr.org
5 Abbey Square, Chester CH1 2HU, England

==============================================================================
Workshop on Diffraction Data Deposition (DDD)
ECM27 Monday August 6th 2012; Venue Bergen University.

This full-day Workshop is organised by the DDD Working Group (WG),
appointed by the IUCr Executive Committee to define the need for and
practicalities of routine deposition of primary experimental data in
X-ray diffraction and related experiments. It will take the form of a
one-day workshop to review progress during the Working Group's first
year of activity.

Objective: To help frame a policy to be drafted by the IUCr DDD WG on
raw diffraction data deposition for final approval by the IUCr
Executive Committee

Dates: Monday August 6th (n.b. ECM27 Opening Ceremony is expected at
6pm approx).

Outline timetable
-----------------

9am     Introduction and welcome. John Helliwell and Brian McMahon

9.05am  The IUCr Diffraction Data Deposition Working Group Activities
        since IUCr Madrid

        John R. Helliwell[a], and Brian McMahon*[b]
        [a] School of Chemistry, University Of Manchester, M13 9PL, UK
        [b] IUCr, 5 Abbey Square, Chester CH1 2HU, UK

9.35am  Motivations, challenges, horror stories and opportunities:
        Experiences of diffraction data management, archival and
        publication at the UK National Crystallography Service.

        Simon J Coles

        UK National Crystallography Service, Chemistry, Faculty of Natural
        and Environmental Sciences, University of Southampton, Highfield,
        Southampton, SO17 1BJ, UK

10.15am Report on several important EU projects: CRISP, PaNdata, NMI3,
        Biostruct X, HDRI and CALIPSO

       Heinz J. Weyer

       SwissFEL, Paul-Scherrer Institut, CH-5232 Villigen PSI Switzerland

10.55am Coffee break

11.15am Ten years and change: the MX data archive at ALS 8.3.1

        James Holton

        University of California, San Francisco and Lawrence Berkeley
        National Laboratory, USA

11.55am Continuous improvement of macromolecular crystal structures

        Thomas C. Terwilliger

        Los Alamos National Laboratory, Mailstop M888, Los Alamos, NM 87545,
        USA

12.35pm Open Discussion

1pm     Buffet lunch and soft drinks

2pm     Towards policy for archiving raw data for macromolecular
        crystallography: Recent experience

        Loes MJ Kroon-Batenburg*[a], Antoine MM Schreurs[a],
        Simon WM Tanley[b] and John R Helliwell[b]

        [a] Crystal and Structural Chemistry, Bijvoet Center for
        Biomolecular Research, Utrecht University, Padualaan 8, 3584 CH
        Utrecht, The Netherlands, 
        [b] School of Chemistry, University of Manchester, Brunswick
        Street, Manchester, M13 9PL, UK

2.40 pm Some Economic Considerations for Managing a Centralized
        Archive of Raw Diffraction Data

        John Westbrook

        RCSB, Rutgers University, USA

3.20pm  A vision involving raw data archiving via local archives as a
        supplement to the existing processed data archives (PDB, CSD,
        ICDD etc)

        John R. Helliwell*[a], and Brian McMahon*[b]

        [a] School of Chemistry, University Of Manchester, M13 9PL, UK
        [b] IUCr, 5 Abbey Square, Chester CH1 2HU, UK

3.50pm  Invite remote participants to make comments and open discussion
        [There may be Workshop participants connecting via remote access,
        probably Skype.]

4.20pm  Summing up. John R. Helliwell and Brian McMahon

4.30pm  Close of Workshop


18.00   ECM27 Opening Ceremony
==============================================================================

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