Keep it together: restraints in crystallographic refinement of macromolecule–ligand complexes

Steiner Roberto A.; Tucker Julie A.

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Keep it together: restraints in crystallographic refinement of macromolecule–ligand complexes

机译：保持在一起:限制晶体细化macromolecule-ligand复合物

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摘要

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.

机译：的概念提供了一个简短的介绍限制在大分子晶体细化。然后描述过程,覆盖类型的输入,背后的方法和机制软件一般条款,这如何近年来发展和寻找什么输出。限制高代软件比较结论与对未来的一些想法。

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《Acta crystallographica. Section D, Structural biology.》 |2017年第2期|93-102|共10页
作者
Steiner Roberto A.; Tucker Julie A.;
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作者单位

Randall Division of Cell and Molecular Biophysics, King's College London, LondonSE1 1UL, England;

Northern Institute for Cancer Research, Paul O'Gorman Building, Medical School, Newcastle;

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原文格式 PDF
正文语种英语
中图分类
关键词
Constraint; mechanic; Standard deviationMental statusRefiningRestraintsCrystallizationMechanics;

机译：deviationMental约束;机械;标准statusRefiningRestraintsCrystallizationMechanics;

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Keep it together: restraints in crystallographic refinement of macromolecule–ligand complexes

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