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Mask omit - PowerPoint PPT Presentation

Atomic model

1. Initialization. F obs. Atom map. Atomic model. Solvent mask. Empty omit map-result. Atom map. Solvent mask. Atom map. Solvent mask. F calc. F mask. Box to omit. Atom map (omit). Solvent mask (omit). F model =k total *(F calc +k mask *F mask ). ?(F model -F obs ) 2 ->min.

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Mask omit - PowerPoint PPT Presentation

Atomic model