Software Development for Macromolecular Crystallography

高效的高速计算环境对于 蛋白质和病毒晶体学。 X射线数据收集、数据 结构振幅的处理、定相、构建 分子模型和结构精细化都是计算的， 密集的程序。 该奖项将继续支持 普渡大学结晶学小组的计算专家。 工作组将特别致力于下列具体工作： 计算目标：泛化代码以生成程序 独立于机器，独立于开发检测器和计算机 X射线数据分析和处理软件（续） 确定结构相的软件开发 因素

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.