A number of real-space torsion-angle refinement techniques for proteins, nucleic acids, ligands and solvent

被引：74

作者：

Oldfield, TJ ^{[1
]}

机构：

[1] Univ York, Mol Simulat Inc, Dept Chem, York YO10 5DD, N Yorkshire, England

来源：

ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY | 2001年 / 57卷

关键词：

D O I：

10.1107/S0907444900014098

中图分类号：

Q5 [生物化学];

学科分类号：

071010 ; 081704 ;

摘要：

This paper describes the implementation of real-space torsion-angle refinement as a tool for model (re)building. The algorithmic details and parameterization for a number of different protocols are presented, as well as the handling of special conditions. Examples illustrating the use of the algorithms show that these tools provide a great advantage over traditional methods for building macromolecular structures. All these algorithms have been implemented in QUANTA (MSI), currently available as version QUANTA98.

引用

页码：82 / 94

页数：13

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