Adams Paul D, Gopal Kreshna, Grosse-Kunstleve Ralf W, Hung Li-Wei, Ioerger Thomas R, McCoy Airlie J, Moriarty Nigel W, Pai Reetal K, Read Randy J, Romo Tod D, Sacchettini James C, Sauter Nicholas K, Storoni Laurent C, Terwilliger Thomas C
Lawrence Berkeley National Laboratory, Berkeley, CA 94720, USA.
J Synchrotron Radiat. 2004 Jan 1;11(Pt 1):53-5. doi: 10.1107/s0909049503024130. Epub 2003 Nov 28.
A new software system called PHENIX (Python-based Hierarchical ENvironment for Integrated Xtallography) is being developed for the automation of crystallographic structure solution. This will provide the necessary algorithms to proceed from reduced intensity data to a refined molecular model, and facilitate structure solution for both the novice and expert crystallographer. Here, the features of PHENIXare reviewed and the recent advances in infrastructure and algorithms are briefly described.
一种名为PHENIX（基于Python的集成晶体学分层环境）的新软件系统正在开发中，用于晶体结构解析的自动化。它将提供从简化强度数据到精修分子模型所需的算法，并为新手和专业晶体学家提供结构解析便利。本文回顾了PHENIX的特性，并简要描述了其在基础设施和算法方面的最新进展。
