Figure 22.1.1.3

Gerstein, M.; Richards, F. M.

doi:10.1107/97809553602060000710

International
Tables for
Crystallography
Volume F
Crystallography of biological macromolecules
Edited by M. G. Rossmann and E. Arnold

pdf | chapter contents | chapter index | related articles

International Tables for Crystallography (2006). Vol. F. ch. 22.1, p. 532 | 1 | 2 |

Figure 22.1.1.3

M. Gerstein^a ^* and F. M. Richards^a

Figure 22.1.1.3

Positioning of the dividing plane. (a) The dividing plane is positioned at a distance d from the larger atom with respect to radii of the larger atom (R) and the smaller atom (r) and the total separation between the atoms (D). (b) Vertex error. One problem with using method B is that the calculation does not account for all space, and tiny tetrahedra of unallocated volume are created near the vertices of each polyhedron. Such an error tetrahedron is shown. The radical-plane method does not suffer from vertex error, but it is not as chemically reasonable as method B.