title: Recent developments in the PHENIX software for automated crystallographic structure determination.
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.
authors.affiliation: Lawrence Berkeley National Laboratory, Berkeley, CA 94720, USA. PDAdams@lbl.gov
authors.forename: Paul D
authors.initials: PD
authors.lastname: Adams
authors.forename: Kreshna
authors.initials: K
authors.lastname: Gopal
authors.forename: Ralf W
authors.initials: RW
authors.lastname: Grosse-Kunstleve
authors.forename: Li-Wei
authors.initials: LW
authors.lastname: Hung
authors.forename: Thomas R
authors.initials: TR
authors.lastname: Ioerger
authors.forename: Airlie J
authors.initials: AJ
authors.lastname: McCoy
authors.forename: Nigel W
authors.initials: NW
authors.lastname: Moriarty
authors.forename: Reetal K
authors.initials: RK
authors.lastname: Pai
authors.forename: Randy J
authors.initials: RJ
authors.lastname: Read
authors.forename: Tod D
authors.initials: TD
authors.lastname: Romo
authors.forename: James C
authors.initials: JC
authors.lastname: Sacchettini
authors.forename: Nicholas K
authors.initials: NK
authors.lastname: Sauter
authors.forename: Laurent C
authors.initials: LC
authors.lastname: Storoni
authors.forename: Thomas C
authors.initials: TC
authors.lastname: Terwilliger
mesh_terms: D000465:Algorithms; D001665:Binding Sites; D003198:Computer Simulation; D003461:Crystallography / Q000379:methods*; D003628:Database Management Systems; D030562:Databases, Protein; D016247:Information Storage and Retrieval / Q000379:methods*; D046911:Macromolecular Substances; D008958:Models, Molecular; D011485:Protein Binding; D011487:Protein Conformation; D011506:Proteins / Q000737:chemistry*; D020539:Sequence Analysis, Protein; D012984:Software; D014584:User-Computer Interface
chemical_list: D046911:Macromolecular Substances; D011506:Proteins