COMPUTING FOR CHALLENGING SAMPLES

这个子项目是利用这些资源的众多研究子项目之一

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.