Re: [PyMOL] Thermal ellipsoids with principal axes

[Takanori N. <tna...@os...>]

Hi,

I ended up implementing this myself, drawing three ellipses
by CGO over PyMOL's native ellipsoids.
My current style is like the one in
https://www.chem.gla.ac.uk/~louis/software/ortep/index.html.

At the moment my code does not support object's TTT matrix
and per-atom colors. Once I fix these limitations,
I will put my script to my GitHub or PyMOL wiki.

I also want to implement the "cutting out one octant" feature
like ORTEP but that would require completely hiding
PyMOL's native ellipsoids and drawing everything from scratch.

Best regards,

Takanori Nakane

On 3/25/25 22:30, Takanori Nakane wrote:
> Dear PyMOL users,
> 
> I am preparing figures for small molecular crystallography.
> I know I can plot thermal ellipsoids in PyMOL but can I add
> principal axes on the surface (or cut out one octant)?
> 
> I would like to draw something like ORTEP:
> https://www.chem.gla.ac.uk/~louis/software/ortep/fig2.gif.
> 
> Do I have to code CGO objects?
> 
> Best regards,
> 
> Takanori Nakane
> 
> 
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