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PubMed · 17001094

SPINE workshop on automated X-ray analysis: a progress report.

M Bahar·C Ballard·S X Cohen·K D Cowtan·E J Dodson·P Emsley·R M Esnouf·R Keegan·V Lamzin·G Langer·V Levdikov·F Long·C Meier·A Muller·G N Murshudov·A Perrakis·C Siebold·N Stein·M G W Turkenburg·A A Vagin·M Winn·G Winter·K S Wilson
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Abstract

The Structural Proteomics In Europe (SPINE) consortium contained a workpackage to address the automated X-ray analysis of macromolecules. The aim of this workpackage was to increase the throughput of three-dimensional structures while maintaining the high quality of conventional analyses. SPINE was able to bring together developers of software with users from the partner laboratories. Here, the results of a workshop organized by the consortium to evaluate software developed in the member laboratories against a set of bacterial targets are described. The major emphasis was on molecular-replacement suites, where automation was most advanced. Data processing and analysis, use of experimental phases and model construction were also addressed, albeit at a lower level.

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AlgorithmsAutomationCrystallography, X-RayData Interpretation, StatisticalDatabases, FactualModels, ChemicalModels, MolecularProtein ConformationProteomicsQuality ControlSoftwareJournal ArticleResearch Support, N.I.H., ExtramuralResearch Support, Non-U.S. Gov'tReview

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M Bahar, C Ballard, S X Cohen, K D Cowtan, E J Dodson, P Emsley, R M Esnouf, R Keegan, V Lamzin, G Langer, V Levdikov, F Long, C Meier, A Muller, G N Murshudov, A Perrakis, C Siebold, N Stein, M G W Turkenburg, A A Vagin, M Winn, G Winter, K S Wilson. 2006-09-19. SPINE workshop on automated X-ray analysis: a progress report.. https://doi.org/10.1107/s0907444906032197

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