International
Tables for Crystallography Volume F Crystallography of biological macromolecules Edited by M. G. Rossmann and E. Arnold © International Union of Crystallography 2006 |
International Tables for Crystallography (2006). Vol. F. ch. 22.2, p. 547
Figure 22.2.4.1
aSchool of Biological Sciences, University of Auckland, Private Bag 92-109, Auckland, New Zealand |
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Figure 22.2.4.1
Suggested criteria for identifying likely hydrogen bonds. DD and AA represent atoms covalently bonded to the donor atom, D, and acceptor atom, A, respectively. Here, (a) represents the criteria when the donor H atom can be placed, and (b) when it cannot be placed. Additional criteria based on the angle DD—D···A could be incorporated with (b). Adapted from Baker & Hubbard (1984) and McDonald & Thornton (1994a). |