PHENIX: building new software for automated crystallographic structure determination - PubMed (original) (raw)
. 2002 Nov;58(Pt 11):1948-54.
doi: 10.1107/s0907444902016657. Epub 2002 Oct 21.
Affiliations
- PMID: 12393927
- DOI: 10.1107/s0907444902016657
PHENIX: building new software for automated crystallographic structure determination
Paul D Adams et al. Acta Crystallogr D Biol Crystallogr. 2002 Nov.
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.
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