Recent developments in the PHENIX software for automated crystallographic structure determination

J Synchrotron Radiat. 2004 Jan 1;11(Pt 1):53-5. doi: 10.1107/s0909049503024130. Epub 2003 Nov 28.

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.

Publication types

  • Research Support, U.S. Gov't, Non-P.H.S.
  • Research Support, U.S. Gov't, P.H.S.

MeSH terms

  • Algorithms*
  • Binding Sites
  • Computer Simulation
  • Crystallography / methods*
  • Database Management Systems*
  • Databases, Protein*
  • Information Storage and Retrieval / methods*
  • Macromolecular Substances
  • Models, Molecular*
  • Protein Binding
  • Protein Conformation
  • Proteins / chemistry*
  • Sequence Analysis, Protein
  • Software*
  • User-Computer Interface

Substances

  • Macromolecular Substances
  • Proteins