Ocparse.m

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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