The VMD-XPLOR visualization package for NMR structure refinement

被引：111

作者：

Schwieters, CD

Clore, GM

机构：

[1] NIH, Ctr Informat Technol, Computat Biosci & Engn Lab, Bethesda, MD 20892 USA

[2] NIDDK, Chem Phys Lab, NIH, Bethesda, MD 20892 USA

来源：

JOURNAL OF MAGNETIC RESONANCE | 2001年 / 149卷 / 02期

关键词：

D O I：

10.1006/jmre.2001.2300

中图分类号：

Q5 [生物化学];

学科分类号：

071010 ; 081704 ;

摘要：

In this paper we present the VMD-XPLOR package combining the XPLOR refinement program and the VMD visualization program and including extensions for use in the determination of biomolecular structures from NMR data. The package allows one to pass structures to and to control VMD from the XPLOR scripting level. The VMD graphical interface has been customized for NMR structure refinement, including support to manipulate coordinates interactively while graphically visualizing NMR experimental information in the context of a molecular structure. Finally, the VMD-XPLOR interface is modular so that it is readily transferable to other refinement programs (such as CNS).

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页码：239 / 244

页数：6

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