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![[Figure 2]](nz5014fig2mag.jpg)
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Figure 2
Four exemplary channel geometries that pose different requirements for the model. The channels are shown in yellow, while protein-occupied space is depicted in blue. (a) A trivial channel that linearly passes one unit cell before reaching its periodic starting point. (b) A channel that traverses the whole unit cell. Since its surfaces do not map onto each other, it does not traverse the macroscopic crystal. Therefore, it never reaches its starting point and cannot be detected by the model. (c) A channel that traverses the whole unit cell but crosses a second unit-cell boundary before reaching its starting position. These cases can be detected by considering the periodic boundary condition. (d) A special case that leads to the region marked in red not being correctly handled by the model. |
![[Figure 2]](nz5014fig2.jpg)
 | STRUCTURAL BIOLOGY |
ISSN: 2059-7983
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