Rendering_Radii=[0.5,0.6,0.7 ] colors=[ [0.0,0.0,1.0], [1.0,0.0,0.0], [0.0,0.5,0.0] ] nneig=[1,1,1]
the Rendering_Radii are the visualised sphere radii for the atomic species
defined in <structure_file>. The colors are defined as RGB triplets, being
the brightest value.
The variable
specifies how many times the unit cell has to be repeated in
directions,
meaning just the central one. For example,
specifies
a range spanning from
to
for each direction.
The display window can be popped up using the following command :
<pymol.com> structureRendering.py <rendering-file-name> \ <structure_file-name>
where pymol.com is the interpreter.
The example given in the test_OP directory ( binary distribution ) can be runned using the openPhonon wrapper in the following way :
openphonon structureRendering.py render preparationinput