VMD-L Mailing List

From: Bachir Aoun (bachir.aoun_at_e-aoun.com)
Date: Thu Jul 24 2014 - 13:58:49 CDT

Hi

I am having hard time extracting atoms coordinates from vmd to do some data
analysis using python scripts.
the way i am doing it right now is to export all trajectory frames in pdb
files, read all the pdbf iles with a python script and parse the
coordinates into a numpy array.

is there any way to directly export an array of atoms coordinates along all
trajectory configurations from vmd to a python environment (usually numpy).

thanks