[vtkusers] How to create a closed surface enclosing a set of 3D points

Totte Karlsson totte at dunescientific.com
Fri Jan 16 16:19:54 EST 2015

I'm working on creating a simple visual model of small molecules. A 
first simple representation (simpler than a ball and stick 
representation) that I would like to create is to have a single surface 
enclosing all the atoms.
This surface would be created such that 1) all atoms are found inside 
the surface and  2) the surface should resemble the "shape" of the molecule.

Any pointers on how one can create such a surface, from a set of 3D 
coordinates (the atoms)?

A first approximation could be to create a sphere, with a diameter large 
enough to enclose all atoms. However, if one have a molecule that is 
more like a tube, a tube would look better.

Perhaps there are some vtk algorithms one could use to get a custom 
shape, tailor made for any molecule??


Totte Karlsson, Ph.D.
Dune Scientific, LLC
425-296 1980 (office)
425-780 9648 (cell)

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