SIG-09 Crystallographic Computing



Most of our web-pages (especially those with details about our Workshops) are here:


SIG9 (also called ECACOMSIG) organises Computing Workshops to help Crystallographers develop software for use in our science. Previous events have been held across Europe since 2013, in non-IUCr GA and Congress years. The next will be in Stift Melk, Austria, in 2019 before ECM32 in Vienna, and will last for around three full days.

Software Fayres

These events have been held to showcase Crystallographic Software at both ECMs and IUCr GA & Congresses for many years. They are currently organised by Martin Lutz and Claudia Millán-Nebot.

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 –


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


Andrea Thorn, Rudolf Virchow Center for Experimental Biomedicine, University of Würzburg, Josef-Schneider-Str. 2, 97080 Würzburg, Germany


Harry Powell, Harry Powell Crystallographic, Buxton Road, Chingford, London E4 7DP, United Kingdom

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CCP14 (powder and small molecule – site is no longer maintained actively)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