VMD-L Mailing List

From: Roshan Shrestha (roshanpra_at_gmail.com)
Date: Sat Nov 07 2020 - 05:37:31 CST

Hi,
     You can yourself write it yourself using MDAnalysis package.

With best regards

On Sat, 7 Nov 2020, 17:08 Jeff Saxon, <jmsstarlight_at_gmail.com> wrote:

> Dear All,
> I am looking for some python solution, which could be used with vmd
> python modules to
> - load a multi-model pdb file (or better load all multi-model pdbs
> from the directory and combine them together)
> - perform clusterization for this ensemble by RMSD using atomic
> selection from pdb (e.g. centre of mass)
> -write some simple clustering diagram as output.
>
> I would be grateful if someone share template of the python script,
> which could be further customized.
> Cheers,
> J.
>
>