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New rigid body fitting and volumetric data utilities for VMD

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ryanmcgreevy/voltool

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voltool

New rigid body fitting and volumetric data utilities for VMD.

Usage: voltool <command> [args...]
Commands:
map operations using an atomic structure:
fit -- rigid body fitting
cc -- calculates the cross-correlation coefficient between a map and structure
sim -- creates a simulated map from an atomic structure
operations on one map:
com -- get center of mass of density
moveto -- move density com to a specified coordinate
move -- apply specified 4x4 transformation matrix to density
trim -- trim edges of a density
crop -- crop density to values given in coordinate space
clamp -- clamp out of range voxel values
smult -- multiply every voxel by a scaling factor
sadd -- add a scaling factor to every voxel
range -- fit voxel values to a given range
downsample -- downsample by x2 (x8 total reduction)
supersample -- supersample by x2 (x8 total increase)
sigma -- transform map to sigma scale
binmask -- make a binary mask of the map
smooth -- 3D gaussian blur
operations on two maps:
add -- add two maps together
diff -- subtract map2 from map1
mult -- multiply map1 and map2
avg -- average two input maps into one
correlate -- calculates the cross-correlation coefficient between two maps

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