Surface Tab

The Surface tab sets the following descriptors an options, all related to surface calculation:

Parameter

Description

Probe radius

Radius of probe atom representing solvent when constructing the Connolly and the solvent accessible surfaces. Measured in Angstroms.

Automatic surface resolution

Size of grid cells in surface calculations will be set automatically according to the number of atoms.

Manual surface resolution

Size of grid cells in surface calculations can be given, measured in Angstroms. The smaller the value, the finer the surface and the longer the surface calculation takes. Also, finer resolution grids require significantly more working memory.

Surface triangle count reduction

When checked, the number triangles constituting a molecular surface are reduced without effecting the smoothness of the surface. This step is performed after the surface is calculated and it takes some time particularly for larger surfaces. However, it is worth spending some extra time for triangle reduction because the resulting surface can be displayed and manipulated much faster than the original surface.