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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
-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.
vmd@ks.uiuc.edu