Physicochemical properties

DX-formatted files produced by Surface Diver can be used to visualize physicochemical properties of the studied systems using for example the UCSF Chimera software. Below we present four graphics showing the shape of a hypothetical peptide (upper left) and its physicochemical properties mapped onto its surface: hydrophobicity (upper right), charge density (lower left) and electrostatic potential (lower right).



Descriptors computed by Surface Diver can be visualized using standard 2D plotting tools (for example the Grace program).
Below, we show the histogram representation of shape descriptors created based on the file matrix_shape.dat. The x axis is indexed with the radii of spherical surfaces, while the y axis gives the values of descriptors for particular frequency (l):