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Abstract：
phenix.refine is a program within the PHENIX package that supports crystallographic structure refinement against experimental data with a wide range of upper resolution limits using a large repertoire of model parameterizations. It has several automation features and is also highly flexible. Several hundred parameters enable extensive customizations for complex use cases. Multiple user-defined refinement strategies can be applied to specific parts of the model in a single refinement run. An intuitive graphical user interface is available to guide novice users and to assist advanced users in managing refinement projects. X-ray or neutron diffraction data can be used separately or jointly in refinement. phenix.refine is tightly integrated into the PHENIX suite, where it serves as a critical component in automated model building, final structure refinement, structure validation and deposition to the wwPDB. This paper presents an overview of the major phenix.refine features, with extensive literature references for readers interested in more detailed discussions of the methods.
摘要：
凤凰。refine是PHENIX软件包中的一个程序，该程序使用大量的模型参数化对具有广泛分辨率上限的实验数据进行晶体学结构细化。它有几个自动化功能，也是高度灵活。数百个参数支持复杂用例的广泛自定义。可以在单个细化运行中将多个用户定义的细化策略应用于模型的特定部分。直观的图形用户界面可用于指导新手用户并帮助高级用户管理细化项目。X射线或中子衍射数据可以单独或联合使用。凤凰。refine紧密集成到PHENIX套件中，它是自动化模型构建中的关键组件，最终结构细化，结构验证和沉积到wwPDB。本文概述了主要的现象。细化特征，为有兴趣的读者提供广泛的文献参考，对方法进行更详细的讨论。
