Tutorial: Mapped Surfaces


Program allows to map the values of some property on an existing surface. For example, to map electrostatic potential on an isosurface of the total density calculated using Gaussian one needs to load corresponding Gaussian cubes first: "Analyze"->"Manage Gaussian Cubes":

After loading Gaussian cubes one need to create isosurface for the total SCF density: 1) Select "Electron density from Total SCF Density" cube from the "Gaussian Cubes Description" list; 2) Press "Create Isosurface" button:

Program creates isosurface for the total SCF density:

To map electrostatic potential on the isosurface 1) Select "Electrostatic potential from Total SCF Density" cube from the "Gaussian Cubes Description" list; 2) Press "Mapped Surface" button:

Program will show all available surfaces. One needs to select the surface(s) and press "Ok" button:

Program maps the values of the electrostatic potential on the total SCF density isosurface:

To customize surface display select "View"->"Manage Objects" in the main menu bar:

Surface display properties may be modified using the "Graphics Object Properties" dialog


Send all questions, suggestions and comments to Vlad (vvv900@gmail.com)

Dr. Vladislav Vasilyev

Supercomputer Facility,

The Australian National University,

Canberra, ACT, 0200, Australia