VMD-L Mailing List

From: Jeff Saxon (jmsstarlight_at_gmail.com)
Date: Sat Nov 07 2020 - 04:57:59 CST

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.