COMPUTING FOR CHALLENGING SAMPLES

这个子项目是许多研究子项目中的一个 由NIH/NCRR资助的中心赠款提供的资源。子项目和 研究者（PI）可能从另一个NIH来源获得了主要资金， 因此可以在其他CRISP条目中表示。所列机构为 研究中心，而研究中心不一定是研究者所在的机构。 计算研究和开发的重点是与具有挑战性的大分子晶体学案例相关的计算需求，包括小而弱衍射晶体，辐射敏感晶体和大晶胞。有问题的晶体还需要特殊的数据收集策略和具有容易重新配置的光学特性的光束线。计算核心的优先级主要是提高我们的光束线的生产率。我们致力于继续开发CONSOLE光束线控制系统;大量的努力致力于使许多控制功能更加用户友好和/或完全自动化。其次，我们继续在设计和实施新软件方面取得了很大进展，以处理最佳数据收集策略。

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.