PHENIX: a comprehensive Python-based system for macromolecular structure solution.
PHENIX: a comprehensive Python-based system for macromolecular structure solution.
复制标题
DOI：
10.1107/s0907444909052925
复制
发表时间：
2010-02
期刊：
影响因子：
--
通讯作者：
Zwart PH
中科院分区：
文献类型：
--
作者：
Adams PD;Afonine PV;Bunkóczi G;Chen VB;Davis IW;Echols N;Headd JJ;Hung LW;Kapral GJ;Grosse-Kunstleve RW;McCoy AJ;Moriarty NW;Oeffner R;Read RJ;Richardson DC;Richardson JS;Terwilliger TC;Zwart PH
介绍了用于大分子结构测定的PHENIX软件。大分子X射线结晶学是在分子水平上了解生物过程的常规应用。然而，由于需要使用许多软件包手动解释复杂的数字数据，以及反复使用交互式三维图形，因此仍然需要大量的时间和精力来解决和完成其中的许多结构。Phenix的开发是为了提供一套全面的大分子晶体结构解决方案系统，强调所有程序的自动化。这依赖于最大限度地减少或消除主观输入的算法的开发，依赖于使传统手工执行的程序自动化的算法的开发，以及最后，允许算法之间紧密集成的框架的开发。
The PHENIX software for macromolecular structure determination is described. Macromolecular X-ray crystallography is routinely applied to understand biological processes at a molecular level. However, significant time and effort are still required to solve and complete many of these structures because of the need for manual interpretation of complex numerical data using many software packages and the repeated use of interactive three-dimensional graphics. PHENIX has been developed to provide a comprehensive system for macromolecular crystallographic structure solution with an emphasis on the automation of all procedures. This has relied on the development of algorithms that minimize or eliminate subjective input, the development of algorithms that automate procedures that are traditionally performed by hand and, finally, the development of a framework that allows a tight integration between the algorithms.