PHENIX: a comprehensive Python-based system for macromolecular structure solution.

Acta Crystallographica. Section D, Biological Crystallography
Paul D AdamsPeter H Zwart

Abstract

Macromolecular X-ray crystallography is routinely applied to understand biological processes at a molecular level. However, significant time and effort are still required to solve and complete many of these structures because of the need for manual interpretation of complex numerical data using many software packages and the repeated use of interactive three-dimensional graphics. PHENIX has been developed to provide a comprehensive system for macromolecular crystallographic structure solution with an emphasis on the automation of all procedures. This has relied on the development of algorithms that minimize or eliminate subjective input, the development of algorithms that automate procedures that are traditionally performed by hand and, finally, the development of a framework that allows a tight integration between the algorithms.

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Methods Mentioned

BETA
X-ray
neutron diffraction
pull-down
macromolecular crystallography

Software Mentioned

REEL
pdbtools
RNABC
SHELXD
hyss
refine
phenix
cctbx
MolProbity
AutoMR

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