NAME

    EyeMopac

DESCRIPTION

      This module reads the cartesian coordinates of a Mopac output file 
      and builds a Chemistry Pyramid. The connectivity is determined
      by a vdw radius test.

WIDGETS

    Filename -- Text
       Filename of Mopac output file.

    Element -- Text
       Filename of reference chemical data. This file includes
       the following properties for all atoms :
       atom number, covalent radius, Van  Der  Waals   radius,
       maximum number of bonds.

OUTPUTS

    Molecule -- Pyramid
       (n-layer, optional-baseLat, n-D compression, n-compression type).
       The output is a Chemical-based pyramid. This pyramid has 2  
       layers  of  lattices. The base layer (0) contains the bond order
       and 2 atom numbers that comprise the bond. The next layer (1), 
       contains the connectivity information, atom data, and the cartesian
       coordinates. Eact atom has 4 data variables: ID, element number
       vdw radius, and colour number. 

KNOWN PROBLEMS

    This module will always read in the second set of "CARTESIAN
    COORDINATES" so edited or incomplete output files might not be
    handled properly. It does not read internal coordinates.

SEE ALSO

    
    EyeESP, MopacView, EyeBalls, MoleculeBuilder, PrintPyr,EyeMopacVib, EyeMopacRxn