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Bulk solvent correction: Difference between revisions
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These papers were influential for the implementation in [[phenix]].refine | |||
* Jiang, J.-S. & Brunger, A. T. (1994). J. Mol. Biol. 243, 100-115. "Protein hydration observed by X-ray diffraction. Solvation properties of penicillopepsin and neuraminidase crystal structures." | * Jiang, J.-S. & Brunger, A. T. (1994). J. Mol. Biol. 243, 100-115. "Protein hydration observed by X-ray diffraction. Solvation properties of penicillopepsin and neuraminidase crystal structures." | ||
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* Fenn, Schneiders, and Brunger Acta Cryst. (2010). D66, 1024-1031 [http://dx.doi.org/10.1107/S0907444910031045] This paper presents the theoretical basis for the Babinet treatment and for several recent hybrid mask reatments that get away from describing the solvent region as "flat". | * Fenn, Schneiders, and Brunger Acta Cryst. (2010). D66, 1024-1031 [http://dx.doi.org/10.1107/S0907444910031045] This paper presents the theoretical basis for the Babinet treatment and for several recent hybrid mask reatments that get away from describing the solvent region as "flat". | ||
Writing out, from refmac, FC and PHIC that include bulk solvent: | |||
* FC_ALL PHIC_ALL are modules and phases of the structure factors including bulk solvent. Contributors have been scaled with ML method. | |||
* FC_ALL_LS and PHIC_ALL_LS : Contributors have been scaled with LS method. | |||