The Xplor-NIH NMR molecular structure determination package
The Xplor-NIH NMR molecular structure determination package
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DOI：
10.1016/s1090-7807(02)00014-9
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发表时间：
2003-01-01
影响因子：
2.2
通讯作者：
Clore, GM
中科院分区：
文献类型：
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作者：
Schwieters, CD;Kuszewski, JJ;Clore, GM
我们宣布提供Xplor-NIH软件包用于NMR生物分子结构测定。该软件包包括预先存在的XPLOR程序，沿着NIH开发的许多NMR特定扩展。除了在过去20年中开发的许多功能外，Xplor-NIH包还包含一个用C++编写的新编程框架的接口。该接口目前支持通用脚本语言Python和TCL，可以快速开发新工具，例如新的势能项和新的优化方法。对这些脚本语言的支持也促进了与现有外部程序的交互，用于结构分析、结构操纵、可视化和光谱分析。(C)2002 Elsevier Science（美国）。All rights reserved.
We announce the availability of the Xplor-NIH software package for NMR biomolecular structure determination. This package consists of the pre-existing XPLOR program, along with many NMR-specific extensions developed at the NIH. In addition to many features which have been developed over the last 20 years, the Xplor-NIH package contains an interface with a new programmatic framework written in C++. This interface currently supports the general purpose scripting languages Python and TCL, enabling rapid development of new tools, such as new potential energy terms and new optimization methods. Support for these scripting languages also facilitates interaction with existing external programs for structure analysis, structure manipulation, visualization, and spectral analysis. (C) 2002 Elsevier Science (USA). All rights reserved.