Efficient molecular surface rendering by linear-time pseudo-Gaussian approximation to Lee-Richards surfaces (PGALRS)

By contouring the density resulting from the summation of pseudo-Gaussian atoms an approximation to the Lee-Richards surface of a molecule can be computed in linear time, allowing rapid identification of surface atoms and residues. This allows accurate calculation of molecular surface areas and rendering of approximate molecular surfaces to be extended to larger macromolecules than is currently feasible.