PHENIX: building new software for automated crystallographic structure determination.
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.
Adams
Paul D
PD
Lawrence Berkeley National Laboratory, One Cyclotron Road, Mailstop 4-230, Berkeley, CA 94720, USA. pdadams@lbl.gov
Grosse-Kunstleve
Ralf W
RW
Hung
Li Wei
LW
Ioerger
Thomas R
TR
McCoy
Airlie J
AJ
Moriarty
Nigel W
NW
Read
Randy J
RJ
Sacchettini
James C
JC
Sauter
Nicholas K
NK
Terwilliger
Thomas C
TC
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
D011506:Proteins