Interpmat.m
Returns a matrix that acts on a stretched pseudocontact shift density cube and projects out the values of the PCS at the Cartesian coordinates given. Tricubic interpolation is used. Syntax:
P=interpmat(cube_dims,ranges,xyz)
Parameters:
cube_dims - PCS cube dimensions, ordered as [X Y Z].
ranges - cartesian axis extents for the pseudocontact shift
cube as [xmin xmax ymin ymax zmin zmax] in Angstroms.
xyz - nuclear coordinates as [x y z] with multiple rows) at
which PCS is to be evaluated, in Angstroms.
Output:
P - matrix projecting out PCS values at the given positi-
ons from the stretched PCS cube.
Note: this function is a part of the PCS inverse problem solver module and should not normally be called directly by the user.