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 - 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, cgsppm2ang.m, corrfun.m, fdhess.m, fdkup.m, fdlap.m, fdmat.m, fdvec.m, fdweights.m, fpl2phan.m, fpl2rho.m, hydrodynamics.m, oscillator.m, overwound.m, phan2fpl.m, points2mult.m, qform2sph.m, qxspen_kernel.m, spden.m, Hyperfine_shift_module, Kernel_utilities

Version 2.3, authors: Ilya Kuprov