Skip to main content
. Author manuscript; available in PMC: 2012 Oct 11.
Published in final edited form as: J Chem Theory Comput. 2011 Oct 11;7(10):3346–3353. doi: 10.1021/ct2000843

Figure 1.

Figure 1

Schematic of an icosahedron with twenty triangular tile. O is at the center of the icosahedron. Each tile has three asymmetric units corresponding to a protomer of the HRV14 capsid (blue area. The Z axis is coincident with one of the 2-fold symmetry axis. In this study the pentamer, or five protomers centered around a 5-fold symmetry axis, is the primary unit cell (blue and yellow areas). The volume occupied by a protomer solvated in water, used in earlier studies,6–8 is shown in the inset. Here water molecules were removed from center of the icosahedron and a shell of water is used to solvate a protomer (thicker lines on inset). Symmetry operators in the 1st row of Table 1 generate a solvated pentamer from the solvated protomer.