From cctbx to cctbx.xfel and beyond
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Abstract
Johan Hattne (HHMI)
Algorithms to process X-ray diffraction images into accurate atomic models of macromolecules have undergone steady refinement over the past decades. As methods by which crystallographic diffraction patters are obtained are further developed, these techniques continue to provide a solid base from which new processing programs can be bootstrapped. The Computational Crystallography Toolbox (cctbx) collects a wealth of such routines for data analysis and provided the functionality to get cctbx.xfel running within a few months. The presentation will highlight past developments in cctbx.xfel and touch on further generalizations towards processing diffraction data collected from microcrystals using electron microscopes.
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