Illustration of three macromolecular surfaces from EDT in a 2D plane.

Abstract

<p>(A) EDT with the minimal macromolecular surface (yellow) as the boundary. The isosurface with isovalue equaling the negative of the minimal van der Waals radius is the van der Waals surface (blue). (B) EDT with van der Waals surface (blue) as the boundary. The isosurface with isovalue equaling the negative of the probe radius is the solvent-accessible surface (red). (C) EDT with solvent-accessible surface (red) as the boundary. The isosurface with isovalue equaling the probe radius is the molecular surface which contains the surface (green) and reentrant surface (pink).</p