The graphic tools implemented in GaussView, Spartan, CaChe, Hyperchem etc. visualize MO's as three-dimensional electron density plots which take some time to calculate and do not always readily yield insight into the nodal structure of MO's.
MOPLOT fills this gap by producing 2-D projected images of geometries, MO's and normal vibrations produced immediately from the output of various standard quantum chemical programs.
MOplot can display:
-geometries, including the cartesian coordinate axes, atom numbers according to the geometry definition in the calculation. Molecules can be turned in all directions under mouse control, or using the controls in the "camera" menu.
-In the "geom" menu, geometric parameters (bond lengths, angles, dihedrals) can be computed for any set of atoms or midpoint between atoms (the latter is a unique feature of MOplot)
-MOplot reads all the steps of a geometry optimization, so this process can be inspected visually ("extra" menu)
Comments