PHENIX:: building new software for automated crystallographic structure determination
PHENIX:: building new software for automated crystallographic structure determination
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DOI：
10.1107/s0907444902016657
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发表时间：
2002-11-01
影响因子：
2.2
通讯作者：
Terwilliger, TC
中科院分区：
文献类型：
--
作者：
Adams, PD;Grosse-Kunstleve, RW;Terwilliger, TC
结构基因组学试图快速扩展蛋白质结构的数量，以便从基因组序列数据库中提取最大量的信息。世界范围内几个大规模项目的出现导致了晶体学大分子结构测定领域的许多新挑战。因此，正在开发一种名为PHENIX（基于Python的集成Xtallography分层环境）的新型软件包。这个新的软件将提供必要的算法，从降低强度的数据进行一个完善的分子模型，并促进结构的解决方案，为新手和专家晶体学家。
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.