Abstract
The EMBL-Hamburg Automated Crystal Structure Determination Platform is a system that combines a number of existing macromolecular crystallographic computer programs and several decision-makers into a software pipeline for automated and efficient crystal structure determination. The pipeline can be invoked as soon as X-ray data from derivatized protein crystals have been collected and processed. It is controlled by a web-based graphical user interface for data and parameter input, and for monitoring the progress of structure determination. A large number of possible structure-solution paths are encoded in the system and the optimal path is selected by the decision-makers as the structure solution evolves. The processes have been optimized for speed so that the pipeline can be used effectively for validating the X-ray experiment at a synchrotron beamline.
Original language | English |
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Pages (from-to) | 449-457 |
Number of pages | 9 |
Journal | Acta Crystallographica Section D: Biological Crystallography |
Volume | 61 |
Issue number | 4 |
DOIs | |
Publication status | Published - Apr 2005 |
Externally published | Yes |