Calculate a solvent excluded molecular surface using a distance grid contouring method. Vertex, normal and triangle arrays are returned. If sas is true then the solvent accessible surface is returned instead.
Compute and display a solvent excluded molecular surfaces for specified atoms. If waters is false then water residues (residue name HOH) are removed from the atom set before computing the surface.
Return the exposed surface area of a set of possibly intersecting set of spheres. An array giving the exposed area for each input sphere is returned. The area is computed by an exact method except for round-off errors. The calculation can fail in rare cases where 4 spheres intersect at a point and area values of -1 are returned for spheres where the calculation fails. TODO: The code also computes the areas using numerical approximation, and the results compared with the maximum and average discrepancy printed for debugging. This code is not needed except for debugging.
Read a STL (Stereo Lithography) surface file and create a surface.