SIG-09 Crystallographic Computing


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SIG 9 Workshops

SIG9 (also called ECACOMSIG) is organising a two full day Computing Workshop at Hotel Sonnenrain in Loßburg-Wittendorf, near Freudenstadt, in the Black Forest, Germany. It will be associated with the European Crystallographic Meeting (ECM30) which is in Basel, Switzerland.

The Workshop begins on the afternoon of 25th August and finishes at lunchtime on 28th August. Transport will be provided to Basel, and will arrive in time for the ECM30 opening ceremony. Registration is via the SIG9 Website at http://www.mrc-lmb.cam.ac.uk/harry/ecacomsig/freudenstadt.html

Scope and Objectives

ECACOMSIG (or “SIG9”) is the ECA’s Special Interest Group that promotes all aspects of Computing in Crystallography. As such, its activities are central to most of the other SIGs in the ECA.

ECACOMSIG works closely with the International Union of Crystallography’s Commission on Crystallographic Computing (“CompComm”) to organise Microsymposia at meetings of the ECA and the IUCr and to organise Schools for developers and potential developers in computational methods for Crystallography.

SIG-09 Officers

The current Officers of ECACOMSIG are –

Chairman

Harry Powell, MRC Laboratory of Molecular Biology, Cambridge, United Kingdom, CB2 0QH

Vice-chairman

Martin Lutz, Crystal and Structural Chemistry, Bijvoet Center for Biomolecular Research, Faculty of Science, Utrecht University, Padualaan 8, 3584 CH Utrecht, The Netherlands

Secretary

Andrea Thorn, MRC Laboratory of Molecular Biology, Cambridge, United Kingdom, CB2 0QH

Crystallographic Software

Crystallographic software (mostly developed in Europe):

CCP4 (macromolecular)

CCP4 Bulletin Board

Mosflm (data processing)

XDS (data processing)

CCP14 (powder and small molecule – site is no longer maintained actively)

Jana (Modulated and other difficult structures)

SHELX (structure solution and refinement)

Crystals (structure solution, refinement & visualisation)

The Bari Group software:

SIR 2011(small molecules)

il Milione (macromolecules) and

EXPO (powders)

Platon (multi-purpose crystallographic tool)

Olex2 (structure solution, refinement & visualisation)

Bilbao Crystallographic Server (many useful crystallographic tools)

Crystallographic software (mostly developed in the rest of the world):

PHENIX mailing list archive

PHENIX (macromolecular)

Documents