Using a bulk solvent model when generating intensities from a reference model#2414
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jbeilstenedmands merged 4 commits intodials:mainfrom May 12, 2023
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The solvent model is an important contribution to the calculated intensities in protein crystallography, and should be included when generating intensities from a model file with mmtbx.
This change also allows setting of the
k_solandb_solparameters, which are set to sensible default values as described in Fokine and Urzhumtsev, Acta Cryst. (2002). D58, 1387-1392