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Phaser crystallographic software
TLDR
A description is given of Phaser-2.1: software for phasing macromolecular crystal structures by molecular replacement and single-wavelength anomalous dispersion phasing. Expand
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Overview of the CCP4 suite and current developments
TLDR
An overview of the CCP4 software suite for macromolecular crystallography is given. Expand
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REFMAC5 for the refinement of macromolecular crystal structures
The general principles behind the macromolecular crystal structure refinement program REFMAC5 are described.
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Use of TLS parameters to model anisotropic displacements in macromolecular refinement.
An essential step in macromolecular refinement is the selection of model parameters which give as good a description of the experimental data as possible while retaining a realistic data-to-parameterExpand
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Macromolecular TLS refinement in REFMAC at moderate resolutions.
Publisher Summary This chapter discusses the translation, rotation, and screw-rotation (TLS) parameterization of anisotropic displacement parameters (ADPs). In general, each atom can deviateExpand
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CCP4i2: the new graphical user interface to the CCP4 program suite
TLDR
CCP4i2 is a graphical user interface to the CCP4 (Collaborative Computational Project, Number 4) software suite and a Python language framework for software automation. Expand
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Structural analysis of a glycoside hydrolase family 43 arabinoxylan arabinofuranohydrolase in complex with xylotetraose reveals a different binding mechanism compared with other members of the same
AXHs (arabinoxylan arabinofuranohydrolases) are alpha-L-arabinofuranosidases that specifically hydrolyse the glycosidic bond between arabinofuranosyl substituents and xylopyranosyl backbone residuesExpand
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MrBUMP: an automated pipeline for molecular replacement
  • R. Keegan, M. Winn
  • Computer Science, Medicine
  • Acta crystallographica. Section D, Biological…
  • 4 December 2007
TLDR
An automation pipeline for macromolecular structure solution by molecular replacement with a special emphasis on the discovery and preparation a large number of search models is described. Expand
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Ongoing developments in CCP4 for high-throughput structure determination.
TLDR
Recent and ongoing developments in the CCP4 software suite, in particular as they pertain to high-throughput studies. Expand
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Evaluating the solution from MrBUMP and BALBES
The automated pipelines for molecular replacement MrBUMP and BALBES are reviewed, with an emphasis on understanding their output. Conclusions are drawn from their performance in extensive trials.
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