Journal of Synchrotron Radiation

Volume 11, Part 1 (January 2004)

research papers

J. Synchrotron Rad. (2004). 11, 53-55 [ doi:10.1107/S0909049503024130 ]

Recent developments in the PHENIX software for automated crystallographic structure determination

P. D. Adams, K. Gopal, R. W. Grosse-Kunstleve, L.-W. Hung, T. R. Ioerger, A. J. McCoy, N. W. Moriarty, R. K. Pai, R. J. Read, T. D. Romo, J. C. Sacchettini, N. K. Sauter, L. C. Storoni and T. C. Terwilliger

Abstract: 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.

Keywords: PHENIX; Python; object-oriented programming; strategies.

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