Phenix - a comprehensive python-based system for macromolecular structure solution
- Los Alamos National Laboratory
- UC BERKELEY
- UNIV OF CAMBRIDGE
- DUKE UNIV
- LBNL
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 crystallographic structure solution with an emphasis on 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.
- Research Organization:
- Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
- Sponsoring Organization:
- USDOE
- DOE Contract Number:
- AC52-06NA25396
- OSTI ID:
- 971649
- Report Number(s):
- LA-UR-09-06438; LA-UR-09-6438; TRN: US201004%%232
- Journal Information:
- Acta Crystallographica D and International Tables of Crystallography, Journal Name: Acta Crystallographica D and International Tables of Crystallography
- Country of Publication:
- United States
- Language:
- English
Similar Records
Macromolecular structure determination using X-rays, neutrons and electrons: recent developments in Phenix
Accurate macromolecular crystallographic refinement: incorporation of the linear scaling, semiempirical quantum-mechanics program DivCon into the PHENIX refinement package