NOBUGS 2004 Conference

New Opportunities for Better User Group Software

October, 18-20, 2004 at PSI, Switzerland

Abstract Submitted for NOBUGS2004

Control and Strategy Software for Mini-Kappa Diffractometer

Sandor Brockhauser, Raimond Ravelli

The EMBL-Grenoble has developed a mini-kappa goniometer to provide the necessary tool for crystal alignment. This multi-axis device is vital for eliminating the distortion effect of radiation damage by collecting the reflections between which a small anomalous difference is to be measured at once. The success of the new gonio highly depends on its control software, as it has been shown by the previous kappa devices which could not be efficiently used in protein crystallography. The software must provide a GUI for the efficient use of the freedom given by the multi-axis structure. Although there were a few small codes available for special calculations related to kappa goniometers, there was no product covering alone all the desired features, from indexing to data collection. The aim of this project, funded by BIOXHIT, is to develop new software combining the features of the already available packages into one code that can be used to control general kappa goniometers for later devices as well. During the development the authors realized the evil conditions of full incompatibility resulting form the different specifications of the laboratory axes and confusing naming conventions. After looking up possible collaborators, the authors have established a Kappa Workgroup as an international forum for co-operative development of software tools for multi-axis diffractometers. As a result of the collaboration, the authors are able to present the first version of the software STAC (STrategy for Aligned Crystals) that guides the user through the process of crystal alignment and the generation of two-sweep strategies for full completeness. keywords: kappa goniometer, crystal alignment, data collection strategy

Abstract File: abstract00148.txt


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