title: Auto-rickshaw: an automated crystal structure determination platform as an efficient tool for the validation of an X-ray diffraction experiment.
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.
authors.affiliation: EMBL Hamburg Outstation, c/o DESY, Notkestrasse 85, D-22603 Hamburg, Germany. panjikar@embl-hamburg.de
authors.forename: Santosh
authors.initials: S
authors.lastname: Panjikar
authors.forename: Venkataraman
authors.initials: V
authors.lastname: Parthasarathy
authors.forename: Victor S
authors.initials: VS
authors.lastname: Lamzin
authors.forename: Manfred S
authors.initials: MS
authors.lastname: Weiss
authors.forename: Paul A
authors.initials: PA
authors.lastname: Tucker
mesh_terms: D018360:Crystallography, X-Ray / Q000379:methods*; D001330:Electronic Data Processing; D012984:Software; D017356:Synchrotrons