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MrBUMP: an automated pipeline for molecular replacement

✍ Scribed by Keegan, Ronan M. ;Winn, Martyn D.

Publisher: International Union of Crystallography
Year: 2007
Tongue: English
Weight: 360 KB
Volume: 64
Category: Article
ISSN: 0907-4449
DOI: 10.1107/s0907444907037195

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✦ Synopsis

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 molecularreplacement 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. An overview of MrBUMP is given and some recent additions to its functionality are highlighted.

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