Hi Thomas,
Thank you very much!
> "ellipsoid_probability" per atom would also be easy, like this:
>
> from pymol.editor import iterate_to_list
> color_indices = iterate_to_list(selection, "color")
> prob_per_atom = iterate_to_list(selection, "s.ellipsoid_probability")
Apparently this method is
Hi Takanori,
This is brilliant. Works like a charm. Thanks a lot for sharing the script.
Your scaling factor 32 on "ellipsoid_quality" is a lot higher than
PyMOL's native ellipsoids, which use a factor of 12 as far as I can
tell.
"ellipsoid_probability" per atom would also be easy, like this:
f
Hi,
> 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 made my script public at
https://gist.github.com/biochem-fan/0a5b690670e90af8946adddc1c40fa6b.
Unfortunately I could not f
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
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.
Hi all,
I hoping to not have to revert to molscript for something.
Any ways to look at thermal ellipsoids a la rastep in
pymol?
Thanks,
Luke
Can pymol, or will it in the near future, work with anisotropic b-factors
and display thermal ellipsoids?
Alternatively, can pymol do anything with the output of rastep?
Anthony
--
Anthony Duff
Postdoctoral Fellow
School of M
