Thumbs up for the SQM geometry optimization with xtb! :)
On Fri, 9 Apr 2021 at 20:11, R Mera wrote:
> Dear PyMOlers,
>
> I wrote a set of scripts that add what I think is useful structure and MD
> analysis capabilities to PyMOL, including Ramachandran plots (structure and
> trajectories, points
Dear PyMOlers,
I wrote a set of scripts that add what I think is useful structure and MD
analysis capabilities to PyMOL, including Ramachandran plots (structure and
trajectories, points identified with colors), RMSF, RMSD, shape indicators,
and others.
The whole thing is open-source and very easy
