International Journal of Biomedical Imaging / 2010 / Article / Fig 2

Research Article

Molecular Surface Mesh Generation by Filtering Electron Density Map

Figure 2

Two situations in which the Gaussian functions would have contradictory properties. (a) Two atoms of the molecule, and , are just close enough to block the way to a solvent molecule . The point is on the SES and must be influenced by the filed generated by , . (b) and are close. The point is on the SES but also on the VdWS. So, it should not be influenced by . It is possible to show that in some (frequent) configurations, .
923780.fig.002a
(a)
923780.fig.002b
(b)

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