If you have access to
AVS
, you can visualize the grid maps by using a
read field
module. The user must specify the `
.fld
' file that was created by
AutoGrid
, in order to read in the grid maps. An
extract scalar
module selects the grid map of interest,
e.g.
carbon affinity or electrostatics. The resulting grid map data can be analyzed using
arbitrary slicer
and
isosurface
modules, in order to examine cross sections and iso-energy contours respectively. Negative energy contours are most informative for the atomic affinity grid maps, since they reveal favorable regions of binding.