COMPUTING FOR CHALLENGING SAMPLES

这个子项目是许多研究子项目中利用 资源由NIH/NCRR资助的中心拨款提供。子项目和 调查员(PI)可能从NIH的另一个来源获得了主要资金， 并因此可以在其他清晰的条目中表示。列出的机构是 该中心不一定是调查人员的机构。 计算研究和开发的重点是与具有挑战性的大分子结晶学案例相关的计算需求，包括小的和弱衍射的晶体、辐射敏感的晶体和大的单胞。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的光学特性的光束线。计算核心中的大部分优先事项是提高我们的光束线的生产率。我们致力于继续开发控制台光束线控制系统；我们付出了大量努力，使许多控制功能更加用户友好和/或完全自动化。第二，我们继续在设计和实施处理最佳数据收集策略的新软件方面取得了很大进展。

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.