Software Development for Macromolecular Crystallography

高效的高速计算环境对蛋白质和病毒晶体学至关重要。x射线数据收集，数据处理，结构振幅相位，构建分子模型和结构细化都是计算密集型的过程。该奖项将继续支持普渡大学晶体学小组的计算专家。具体而言，该小组将追求以下具体计算目标：推广代码，使程序与机器无关；开发用于分析和处理x射线数据的探测器和计算机独立软件；继续开发用于确定结构因素相位的软件。

An efficient high speed computing environment is essential for protein and virus crystallography. X-ray data collection, data processing, phasing of structure amplitudes, constructing molecular models and structure refinement are all computationally intensive procedures. This award will continue the support of the computing specialists in the crystallography group at Purdue. In particular the group will pursue the following specific computing objectives: generalizing codes to make programs machine independent, develop detector and computer independent software for analysis and processing of X-ray data, continue software development for the determination of phases of structure factors.