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PHENIX: building new software for automated crystallographic structure determination.
Paul D Adams1, Ralf W Grosse-Kunstleve, Li Wei Hung
1Lawrence Berkeley National Laboratory, One Cyclotron Road, Mailstop 4-230, Berkeley, CA 94720, USA. pdadams@lbl.gov
Acta Crystallographica. Section D, Biological Crystallography
|October 24, 2002
Summary
Structural genomics aims to increase protein structure data. A new software package, PHENIX (Python-based Hierarchical ENvironment for Integrated Xtallography), is developed to aid crystallographic structure determination for researchers.
Area of Science:
- Structural biology
- Genomics
- Biochemistry
Background:
- Structural genomics projects are rapidly expanding protein structure databases.
- Large-scale projects present challenges in macromolecular structure determination.
- Efficient tools are needed to process crystallographic data.
Purpose of the Study:
- To introduce PHENIX, a novel software package for integrated crystallography.
- To provide algorithms for processing crystallographic data from reduced intensity to a refined molecular model.
- To facilitate macromolecular structure solution for both novice and expert users.
Main Methods:
- Development of a novel software package named PHENIX.
- Implementation of algorithms for integrated crystallographic workflows.
- Focus on processing reduced intensity data to a refined molecular model.
Main Results:
- PHENIX software package is under development.
- The software aims to streamline the process of protein structure determination.
- It is designed to assist crystallographers in various stages of structure solution.
Conclusions:
- The PHENIX software package will support structural genomics efforts.
- It offers a comprehensive solution for macromolecular structure determination.
- The tool aims to enhance accessibility and efficiency in crystallography.