title: PHENIX: building new software for automated crystallographic structure determination.
abstract: Structural genomics seeks to expand rapidly the number of protein structures in order to extract the maximum amount of information from genomic sequence databases. The advent of several large-scale projects worldwide leads to many new challenges in the field of crystallographic macromolecular structure determination. A novel software package called PHENIX (Python-based Hierarchical ENvironment for Integrated Xtallography) is therefore being developed. This new software will provide the necessary algorithms to proceed from reduced intensity data to a refined molecular model and to facilitate structure solution for both the novice and expert crystallographer.
authors.affiliation: Lawrence Berkeley National Laboratory, One Cyclotron Road, Mailstop 4-230, Berkeley, CA 94720, USA. pdadams@lbl.gov
authors.forename: Paul D
authors.initials: PD
authors.lastname: Adams
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: Randy J
authors.initials: RJ
authors.lastname: Read
authors.forename: James C
authors.initials: JC
authors.lastname: Sacchettini
authors.forename: Nicholas K
authors.initials: NK
authors.lastname: Sauter
authors.forename: Thomas C
authors.initials: TC
authors.lastname: Terwilliger
mesh_terms: D000465:Algorithms; D001331:Automation / Q000379:methods; D018360:Crystallography, X-Ray / Q000379:methods*; D023281:Genomics; D008958:Models, Molecular; D015394:Molecular Structure; D011506:Proteins / Q000737:chemistry / Q000235:genetics; D012984:Software
chemical_list: D011506:Proteins