When I was giving the demo of the polyhedral stuff to you on IRC we saw a=
try the following:
color atom blue;
polyhedra 3.0 (=21 hydrogen)
The problem is that the radius of 3.0 and the vertex selection criteria o=
(=21 hydrogen) end up picking 4 atoms ... so it draw a tetrahedron.
The current rule is very simple. It says that if I have exactly 4 (or 6)
neighbors (as specified by bonds, distance, or distance + vertex set) the=
I will draw a tetrahedron (or octahedron).
This demonstrates that it is *very* sensitive to the radius.
This problem does not occur if we then say;
select *; polyhedra 2.0
Q: Is there an easy way for me to detect whether or not the central atom
point is 'inside' the tetrahedron/octahedron?
Q: Can you think of some easier test we can do to validate the polyhedra?=
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