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Full Record Details
Persistent URL
http://purl.org/net/epubs/work/37300
Record Status
Checked
Record Id
37300
Title
Automated search-model discovery and preparation for structure solution by molecular replacement
Contributors
RM Keegan (STFC)
,
MD Winn (STFC)
Abstract
A novel automation pipeline for macromolecular structure solution by molecular replacement is described. There is a special emphasis on the discovery and preparation of a large number of search models, all of which can be passed to the core molecular-replacement programs. For routine molecular-replacement problems, the pipeline automates what a crystallographer might do and its value is simply one of convenience. For more difficult cases, the pipeline aims to discover the particular template structure and model edits required to produce a viable search model and may succeed in finding an efficacious combination that would be missed otherwise. The pipeline is described in detail and a number of examples are given. The examples are chosen to illustrate successes in real crystallography problems and also particular features of the pipeline. It is concluded that exploring a range of search models automatically can be valuable in many cases.
Organisation
CCLRC
,
CSE
,
CCP4
Keywords
Biology
,
protein crystallography
,
automation
Funding Information
Related Research Object(s):
Licence Information:
Language
English (EN)
Type
Details
URI(s)
Local file(s)
Year
Journal Article
Acta Crystallogr D
63, no. 4 (2007): 447-457.
doi:10.1107/S0907444907002661
2007
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