mdffi

The mdffi command provides fast internal implementations of key cross correlation and density map synthesis algorithms used for molecular dynamics flexible fitting (MDFF) simulation, analysis, and visualization [26].

• cc selection [-allframes] [-i input density map] [-mol molid $\vert$ -vol volume ID] [-thresholddensity threshold value] : Computes the MDFF cross correlation between an selection from an all-atom molecular structure, and a density map.

• sim selection [-o output density map] [-res target resolution in Å] [-spacing grid spacing] : Compute a simulated density map from an atom selection on an all-atom molecular structure.

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