Recent developments in the PHENIX software for automated crystallographic structure determination.
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.
Adams
Paul D
PD
Lawrence Berkeley National Laboratory, Berkeley, CA 94720, USA. PDAdams@lbl.gov
Gopal
Kreshna
K
Grosse-Kunstleve
Ralf W
RW
Hung
Li-Wei
LW
Ioerger
Thomas R
TR
McCoy
Airlie J
AJ
Moriarty
Nigel W
NW
Pai
Reetal K
RK
Read
Randy J
RJ
Romo
Tod D
TD
Sacchettini
James C
JC
Sauter
Nicholas K
NK
Storoni
Laurent C
LC
Terwilliger
Thomas C
TC
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
D046911:Macromolecular Substances; D011506:Proteins