Fig. 1
From: Precise parallel volumetric comparison of molecular surfaces and electrostatic isopotentials
CSG operations on Protein Structure Data. a Basic CSG operations. Input solids are yellow with dotted outlines. Output solids have unbroken outlines. b Sample ligand with grey atoms and white bonds. Light blue circles are spheres centered on each atom. c The CSG union of all spheres in each ligand. d The molecular surface of two proteins (blue, red) in complex with each ligand, shown as sphere unions (black outlines). e CSG difference of the sphere unions minus molecular surfaces (dotted outlines), shown with molecular surfaces (blue and red, no outline) and envelope surfaces (black outline). f Intersection of differences with envelope surfaces (light blue and red, black outlines). g The CSG difference between binding cavities reveals a variation in steric hindrance that causes differences in binding preferences