spc_4x4.gif (45 byte)
4.1 Shape Analysis
spc_2x2.gif (43 byte)
grd_2.gif (669 byte)
spc_2x2.gif (43 byte)
grd_3.gif (736 byte)

 

VEGA can calculate Van Der Waals and accessible to solvent molecular surfaces. The default calculation is the water accessible surface (1.4 sphere radius of the probe), but it is posasible to change the solvent radius (probe), and if you set the probe radius to null, VEGA calculates the Van Der Waals surface. The standard point density is 10 dots per 2, but also this value can be changed. At the end of the surface calculation, in the console you can read the area in Ų and the range of values assigned at each dot.
The surface color can be selected by property, by atom and by color with the slider or with the color table
.

 

Surface by color
Surface by color
  

Surface by atom

Surface by atom
  
Surface by property
Surfuce by property
(Molecular Electrostatic Potential)
  

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