Calculate molecular volumes and surface area for selected atoms

[radii file name] [atoms] [-g=5] [-s=o]

Calculates molecular volume and surface area for all/selected atoms.

  • -g: generation of the triangulation process
  • -s: source of the triangles for the sphere triangulation, [o]ctahedron or [t]etrahedron are available. Generation 5; for octahedron-approximate sphere by 8192 triangles, for tetrahedron by 4096 triangles. Each generation up increases the number of triangles by factor of 4, generation down - decreases by the same factor.