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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通讯作者:
P. Adams;K. Gopal;R. Grosse-Kunstleve;L. Hung;T. Ioerger;A. Mccoy;N. Moriarty;Reetal Pai;
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作者:
P. Adams;K. Gopal;R. Grosse-Kunstleve;L. Hung;T. Ioerger;A. Mccoy;N. Moriarty;Reetal Pai;
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.