Automated structure determination with phenix

Autor: Ralf W. Grosse-Kunstleve, Peter H. Zwart, Nicholas K. Sauter, Pavel V. Afonine, Tod D. Romo, Lalji Kanbi, Airlie J. McCoy, Kreshna Gopal, Erik McKee, Li-Wei Hung, Thomas R. Ioerger, Nigel W. Moriarty, Paul D. Adams, Reetal Pai, Randy J. Read, Thomas C. Terwilliger, Laurent C. Storoni, James C. Sacchettini, Thiru Radhakannan
Rok vydání: 2007
Předmět:
Zdroj: Evolving Methods for Macromolecular Crystallography ISBN: 9781402063145
DOI: 10.1007/978-1-4020-6316-9_9
Popis: A new software system called PHENIX (Python-based Hierarchical ENvironment for Integrated Xtallography) has been developed for the automation of crystallographic structure solution. This provides algorithms to go from reduced intensity data to a refined molecular model, and facilitates structure solution for both the novice and expert crystallographer. Here, we review the major features of PHENIX, including the different user interfaces, and briefly describe the recent advances in infrastructure and algorithms.
Databáze: OpenAIRE