NOBUGS 2004 Conference

New Opportunities for Better User Group Software

October, 18-20, 2004 at PSI, Switzerland


Abstract Submitted for NOBUGS2004

The PXDB: a relational database for experiment planning, tracking, etc

M. Cowan, et al

The PXDB: a relational database for experiment planning and tracking in high-throughput macromolecular crystallography M. Cowan, H. Bosshard, W. Nolan, R. Buono, D. Schneider, H. Robinson, J. Skinner, J. Jiang, R.M. Sweet, Biology Department, Brookhaven National Laboratory, Upton, NY 11973 High-throughput macromolecular crystallography (HTPX) requires careful attention to each step in the process. We have addressed especially steps requiring slow, manual interaction, like experiment planning, documentation of the process, and transfering of information between stages of the process. We have created a relational database system that records almost everything in the synchrotron diffraction experiment, all the way from submitting beam-time request information, inclusion of useful information from previous stages, planning and execution of the experiment, structure solving and deposition of the result into the Protein Data Bank. The system is accessible to users and our staff through the web where project overviews and various reports can be pulled up. The system is also integrated with the experiment setup and data collection system. An xml import/export tool allows easy transfer of information to/from other stages. The system employs the PostgreSQL database engine. This poster will display the rationale that defined the project and some of the approaches we've taken to solve some of the accompanying problems.

Abstract File: abstract00121.txt

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