Prime User Manual - ISP
Prime User Manual - ISP
Prime User Manual - ISP
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56<br />
Chapter 7: <strong>Prime</strong>–Refinement<br />
<strong>Prime</strong> 2.1 <strong>User</strong> <strong>Manual</strong><br />
Figure 7.1. The <strong>Prime</strong> Membrane Setup panel.<br />
7.3 Setting Up an Implicit Membrane<br />
The <strong>Prime</strong> implicit membrane model is intended for proteins embedded in a membrane. The<br />
implicit membrane is a low-dielectric slab-shaped region, which is treated in the same way as<br />
the high-dielectric implicit solvent region. Hydrophobic groups, which normally pay a solvation<br />
penalty for creating their hydrophobic pocket in the high dielectric region, do not have to<br />
pay that penalty while in the membrane slab. Conversely, hydrophilic groups lose any shortranged<br />
solvation energy from the high dielectric region when moving into the low dielectric<br />
region.<br />
The implicit membrane model is intended for use with proteins that span the membrane. The<br />
slab is trimmed for efficiency, so that any structure that is too small or too far away from the<br />
membrane is likely to result in too much trimming and might not produce useful results.<br />
The membrane is marked in the Workspace by a semitransparent cube with a white line that is<br />
perpendicular to the surfaces of the membrane (which are planar). The membrane surfaces are<br />
colored red, and the other faces of the cube (which are interior to the membrane) are colored<br />
green. You can control whether the sides of the cube are displayed with the Show cube sides<br />
option. The direction of the line shows the orientation of the membrane.You can adjust both the<br />
thickness and the orientation of the membrane.<br />
To set up an implicit membrane:<br />
1. Click Set Up Membrane.<br />
The Membrane Setup panel opens.