Auto-Rickshaw:: an automated crystal structure determination platform as an efficient tool for the validation of an X-ray diffraction experiment
Auto-Rickshaw:: an automated crystal structure determination platform as an efficient tool for the validation of an X-ray diffraction experiment
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DOI：
10.1107/s0907444905001307
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发表时间：
2005-04-01
影响因子：
2.2
通讯作者：
Tucker, PA
中科院分区：
文献类型：
--
作者：
Panjikar, S;Parthasarathy, V;Tucker, PA
EMBL-汉堡自动晶体结构测定平台是一个系统，它将许多现有的大分子晶体学计算机程序和多个决策者组合成一个软件管道，用于自动高效的晶体结构测定。一旦收集并处理了衍生蛋白质晶体的 X 射线数据，就可以调用该管道。它由基于网络的图形用户界面控制，用于数据和参数输入，并监控结构测定的进度。系统中编码了大量可能的结构-解决方案路径，随着结构解决方案的发展，决策者会选择最佳路径。该流程已针对速度进行了优化，以便该管道可以有效地用于验证同步加速器光束线的 X 射线实验。
The EMBL-Hamburg Automated Crystal Structure Determination Platform is a system that combines a number of existing macromolecular crystallographic computer programs and several decision-makers into a software pipeline for automated and efficient crystal structure determination. The pipeline can be invoked as soon as X-ray data from derivatized protein crystals have been collected and processed. It is controlled by a web-based graphical user interface for data and parameter input, and for monitoring the progress of structure determination. A large number of possible structure-solution paths are encoded in the system and the optimal path is selected by the decision-makers as the structure solution evolves. The processes have been optimized for speed so that the pipeline can be used effectively for validating the X-ray experiment at a synchrotron beamline.