Recent developments in the PHENIX software for automated crystallographic structure determination

• Published in: Journal of synchrotron radiation Vol. 11; no. 1; pp. 53 - 55
• Main Authors: Adams, Paul D., Gopal, Kreshna, Grosse-Kunstleve, Ralf W., Hung, Li-Wei, Ioerger, Thomas R., McCoy, Airlie J., Moriarty, Nigel W., Pai, Reetal K., Read, Randy J., Romo, Tod D., Sacchettini, James C., Sauter, Nicholas K., Storoni, Laurent C., Terwilliger, Thomas C.
• Format: Journal Article Conference Proceeding
• Language: English
• Published: 5 Abbey Square, Chester, Cheshire CH1 2HU, England International Union of Crystallography 01.01.2004; Blackwell
• Subjects: Algorithms; Binding Sites; Computer Simulation; Crystallography - methods; Database Management Systems; Databases, Protein; Exact sciences and technology; Information Storage and Retrieval - methods; Instruments, apparatus, components and techniques common to several branches of physics and astronomy; Macromolecular Substances; Models, Molecular; object-oriented programming; PHENIX; Physics; Protein Binding; Protein Conformation; Proteins - chemistry; Python; Sequence Analysis, Protein; Software; strategies; Synchrotron radiation instrumentation; User-Computer Interface; X- and γ-ray instruments and techniques; Automation; Algorithms; Reviews; Molecular structure; Solution structure; Computer software; Molecular models; Synchrotron radiation; Crystal structure
• ISSN: 1600-5775; 0909-0495; 1600-5775
• DOI: 10.1107/S0909049503024130

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.