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)

Arguments

    cube_dims - pseudocontact shift cube grid sizes, a vector of 
                three integers 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.

Outputs

    P         - matrix projecting out PCS values at the specified 
                nuclear positions from the stretched PCS cube.

Notes

This function is a part of the PCS inverse problem solver module; it should not normally be called directly by the user.

See also

ppcs.m, lpcs.m, kpcs.m, ipcs.m, ilpcs.m, xyz2pms.m, hfc2pcs.m, hfc2pms.m, g2chi.m

Version 2.3, authors: Ilya Kuprov