Electronic Reprint Synchrotron Radiation Recent Developments in the Phenix Software for Automated Crystallographic Structure Determination Recent Developments in the Phenix Software for Automated Crystallographic Structure Determination

Electronic Reprint Synchrotron Radiation Recent Developments in the Phenix Software for Automated Crystallographic Structure Determination Recent Developments in the Phenix Software for Automated Crystallographic Structure Determination
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影响因子:
4.2
通讯作者:
P. Adams;K. Gopal;R. Grosse-Kunstleve;L. Hung;T. Ioerger;A. Mccoy;N. Moriarty;Reetal Pai;
P. Adams;K. Gopal;R. Grosse-Kunstleve;L. Hung;T. Ioerger;A. Mccoy;N. Moriarty;Reetal Pai;
中科院分区:
医学2区
文献类型:
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作者:
P. Adams;K. Gopal;R. Grosse-Kunstleve;L. Hung;T. Ioerger;A. Mccoy;N. Moriarty;Reetal Pai;

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本文的作者可以在自己的网站上加载此重印本,前提是保留此封面。未经IUCr事先书面许可,不得转载本文或将其存储在电子数据库等中。PHENIX(Python-based Hierarchical Enclamment for Integrated Xtallography)是一个用于晶体结构自动化求解的软件系统。这将提供必要的算法,从降低强度的数据进行到一个完善的分子模型,并促进结构的解决方案,为新手和专家晶体学家。在这里,我们回顾了PHENIX的特点,并简要描述了最近的进展,在基础设施和算法。
Author(s) of this paper may load this reprint on their own web site provided that this cover page is retained. Republication of this article or its storage in electronic databases or the like is not permitted without prior permission in writing from the IUCr. 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 we review the features of PHENIX and briefly describe the recent advances in infrastructure and algorithms.