Ocparse.m

ORCA cube file parser. Extracts the normalised probability density and the associated metric information from ORCA spin density in "3D simple format" (see ORCA manual). Syntax:

    [density,ext,dx,dy,dz]=ocparse(filename)

Outputs:

    density  - probability density cube with dimensions
               ordered as [X Y Z]

    ext      - grid extents in Angstrom, ordered as
               [xmin xmax ymin ymax zmin zmax]

    dx,dy,dz - grid steps in the three directions, Angstrom

Version 1.9, authors Elizaveta_Suturina, Ilya Kuprov