VMD-L Mailing List

From: Bassam Haddad (bhaddad_at_pdx.edu)
Date: Thu Jul 25 2019 - 16:45:32 CDT

Hello All,

I am trying to analyze some MD trajectories by comparing the individual
side-chain locations to experimentally determined CryoEM densities. I want
to write a script that essentially checks if a residue is at least 50% (50%
of the residues atoms) within the .mrc (volume file) at a pre-determined
iso-value.

I can imagine doing something like this in Python using MDAnalysis &
gridData, however I would much rather use TCL/VMD. Is this possible in VMD?

Thank you in advance!

Bassam Haddad