JLigand: A graphical tool for the CCP4 template-restraint library

LebedevA.A.; YoungP.; IsupovM.N.MorozO.V.VaginA.A.MurshudovG.N.

首页> 外文期刊>Acta crystallographica.Section D. Biological crystallography >JLigand: A graphical tool for the CCP4 template-restraint library

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JLigand: A graphical tool for the CCP4 template-restraint library

机译：CCP4 JLigand:一个图形工具template-restraint图书馆

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摘要

Biological macromolecules are polymers and therefore the restraints for macromolecular refinement can be subdivided into two sets: restraints that are applied to atoms that all belong to the same monomer and restraints that are associated with the covalent bonds between monomers. The CCP4 template-restraint library contains three types of data entries defining template restraints: descriptions of monomers and their modifications, both used for intramonomer restraints, and descriptions of links for intermonomer restraints. The library provides generic descriptions of modifications and links for protein, DNA and RNA chains, and for some post-translational modifications including glycosylation. Structure-specific template restraints can be defined in a users additional restraint library. Here, JLigand, a new CCP4 graphical interface to LibCheck and REFMAC that has been developed to manage the users library and generate new monomer entries is described, as well as new entries for links and associated modifications.

机译：生物大分子聚合物因此大分子的限制改进可以分为两组:限制应用于原子属于同一单体和约束与之间的共价键相关联单体。定义包含三种类型的数据条目单体和模板限制:描述他们的修改,用于intramonomer限制,和描述的链接intermonomer限制。通用的描述修改和链接对蛋白质、DNA和RNA链和一些转录后修饰包括糖基化。额外的限制可以被定义在一个用户克制图书馆。图形界面LibCheck和REFMAC开发管理用户图书馆吗和产生新的单体条目描述新条目和相关的链接修改。

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来源
《Acta crystallographica.Section D. Biological crystallography》 |2012年第4期|431-440|共10页
作者
LebedevA.A.; YoungP.; IsupovM.N.MorozO.V.VaginA.A.MurshudovG.N.;
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作者单位

Structural Biology Laboratory, University of York, Heslington, York YO10 5DD, United Kingdom;

CCP4, STFC Rutherford Appleton Laboratory, Harwell Oxford, Didcot OX11 0QX, United Kingdom;

Henry Wellcome Building for Biocatalysis, Biosciences, College of Life and Environmental SciencesYork Digital Library, University of York, Heslington, York YO10 5DD, United KingdomStructural Studies Division, MRC Laboratory of Molecular Biology, Hills Road, Cambridge CB2 0QH;

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原文格式 PDF
正文语种英语
中图分类化学;
关键词
Constraint; Libraries; HSP40 Heat-Shock Proteinsmonomerscovalent bondsRestraints;

机译：约束;图书馆;HSP40热休克Proteinsmonomerscovalent bondsRestraints;

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JLigand: A graphical tool for the CCP4 template-restraint library

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