Journal of Applied Crystallography

Volume 39, Part 3 (June 2006)


computer programs



J. Appl. Cryst. (2006). 39, 446-452    [ doi:10.1107/S0021889806007072 ]

A program for automated optimization of initial crystallization conditions

T. Ben Haj Abdellatif and F. Kozielski

Abstract: Protein crystallization is a difficult and time-consuming task, because to obtain a crystal, optimization steps are required almost systematically. A tool that simplifies the optimization of crystallization conditions, and that can be used by any crystallographer to design a crystallization plate and to visualize its content, has become a paramount necessity. A free and open-source application has been developed to automate this task. It is based on a graphical user interface (GUI) that allows a personalized crystallization plate to be designed. All data used and generated are saved in XML documents, which allow reuse of the information. The steps involved in preparing a crystallization plate and the functions of the GUI designed to perform these steps are described. Plans for future development are presented. The program was written in Java. The application and its documentation are available under CeCILL license, which is a Free Software license agreement.

Keywords: Java; XML; graphical user interfaces; Tecan robots; automated crystallization.

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