COMPUTING FOR CHALLENGING SAMPLES

计算具有挑战性的样本

• 批准号: 8361649
• 负责人: STEVEN E EALICK
• 金额: $ 2.42万
• 依托单位: CORNELL UNIVERSITY
• 依托单位国家: 美国
• 财政年份: 2011
• 资助国家: 美国
• 起止时间: 2011-04-01 至 2012-03-31
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/8361649
• 关键词: Automation; Cells; Characteristics; Commit; Computer software; Crystallography; Data Collection; Development; Funding; Grant; National Center for Research Resources; Optics; Principal Investigator; Productivity; Radiation; Reporting; Research; Research Infrastructure; Resources; Sampling; Source; System; United States National Institutes of Health; beamline; computerized data processing; cost; operation; research and development; structural biology; user-friendly

This subproject is one of many research subprojects utilizing the resources provided by a Center grant funded by NIH/NCRR. Primary support for the subproject and the subproject's principal investigator may have been provided by other sources, including other NIH sources. The Total Cost listed for the subproject likely represents the estimated amount of Center infrastructure utilized by the subproject, not direct funding provided by the NCRR grant to the subproject or subproject staff. 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. During the current reporting period the priorities in the computational core were mostly given to the increase of the productivity of our beamlines and the ease of user's operations. 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 simple. Second, we made a lot of progress in the implementation and improvements of new software to deal with the optimal data collection strategy and automation of data processing.

该副本是利用资源的众多研究子项目之一 由NIH/NCRR资助的中心赠款提供。对该子弹的主要支持 而且，副投影的主要研究员可能是其他来源提供的 包括其他NIH来源。 列出的总费用可能 代表subproject使用的中心基础架构的估计量， NCRR赠款不直接向子弹或副本人员提供的直接资金。 计算研究和开发集中在与大分子晶体学病例相关的计算需求上，包括小且弱衍射的晶体，辐射敏感的晶体和大型单位细胞。有问题的晶体还需要特殊的数据收集策略和具有可重新配置的光学特性的光束线。在当前的报告期间，计算核心中的优先级主要是对梁线的生产率提高和用户操作的易用性。我们致力于延续控制台束线控制系统的发展；许多努力都致力于使许多控制功能更加友好和简单。其次，我们在新软件的实现和改进方面取得了很大的进步，以处理最佳数据收集策略和数据处理的自动化。