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Journal Article
Research Support, Non-U.S. Gov't
Review
Keep it together: restraints in crystallographic refinement of macromolecule-ligand complexes.
Acta Crystallographica. Section D, Structural Biology 2017 Februrary 2
A short introduction is provided to the concept of restraints in macromolecular crystallographic refinement. A typical ligand restraint-generation process is then described, covering types of input, the methodology and the mechanics behind the software in general terms, how this has evolved over recent years and what to look for in the output. Finally, the currently available restraint-generation software is compared, concluding with some thoughts for the future.
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