COMPUTING FOR CHALLENGING SAMPLES

计算具有挑战性的样本

• 批准号: 8169273
• 负责人: STEVEN E EALICK
• 金额: $ 0.77万
• 依托单位: CORNELL UNIVERSITY
• 依托单位国家: 美国
• 财政年份: 2010
• 资助国家: 美国
• 起止时间: 2010-04-01 至 2011-03-31
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/8169273
• 关键词: Cells; Characteristics; Commit; Computer Retrieval of Information on Scientific Projects Database; Computer software; Crystallography; Data Collection; Development; Funding; Grant; Institution; Optics; Productivity; Radiation; Research; Research Personnel; Resources; Sampling; Source; System; United States National Institutes of Health; beamline; design; research and development; user-friendly

This subproject is one of many research subprojects utilizing the resources provided by a Center grant funded by NIH/NCRR. The subproject and investigator (PI) may have received primary funding from another NIH source, and thus could be represented in other CRISP entries. The institution listed is for the Center, which is not necessarily the institution for the investigator. The computational research and development is focused on the computational needs associated with challenging cases of macromolecular crystallography, including small and weakly diffracting crystals, radiation sensitive crystals and large unit cells. Problematic crystals also require special data collection strategies and the beamline with readily reconfigurable optical characteristics. The priorities in computational core were mostly given to the increase of the productivity of our beamlines. We were committed to continuation of the development of the CONSOLE beamline control system; a lot of efforts were dedicated to make many control functions more user's friendly and/or completely automated. Second, we continued and made a lot of progress in the design and implementation of new software to deal with the optimal data collection strategy.

该子项目是利用该技术的众多研究子项目之一 资源由 NIH/NCRR 资助的中心拨款提供。子项目及 研究者 (PI) 可能已从 NIH 的另一个来源获得主要资金， 因此可以在其他 CRISP 条目中表示。列出的机构是 对于中心来说，它不一定是研究者的机构。 计算研究和开发的重点是与大分子晶体学的挑战性案例相关的计算需求，包括小型和弱衍射晶体、辐射敏感晶体和大型晶胞。有问题的晶体还需要特殊的数据收集策略和具有易于重新配置光学特性的光束线。计算核心的优先事项主要是提高光束线的生产率。我们致力于继续开发CONSOLE光束线控制系统；为了使许多控制功能更加用户友好和/或完全自动化，我们付出了很多努力。其次，我们在设计和实施新软件以处理最佳数据收集策略方面继续取得了很大进展。