VMD-L Mailing List

From: Marc Baaden (baaden_at_smplinux.de)
Date: Tue Oct 29 2002 - 12:59:56 CST

Hi,

I would like to position a given protein "similarly" for a series
of snapshots. I thought of a) calculating the geometrical center
of the protein CA's and b) using the line from a specific residue
to that center as pointing direction.

I have not yet been able to figure out how to:

- move the system to the geometrical center that was calculated,
  I basically have the center as result of the command
    geom_center $sel
  but don't know how to feed that into the "trans" command (which
  I think can be used to reposition the system)

- what is the easiest way to reorient the system, if I have two
  points (one is the center, the second would be a Ca of a specific
  residue), so that the line connecting the two points is directed
  from the center towards me ?

I wonder whether both operations might be performed with just one
"trans" command ?

Also, is it easy to automagically setup proper lighting for this new
position ?

Thanks in advance,
  Marc Baaden 

-- 
 Dr. Marc Baaden - Laboratory of Molecular Biophysics, Oxford University
 mailto:baaden_at_smplinux.de  - ICQ# 11466242 -  http://www.marc-baaden.de
 FAX/Voice +49 697912 39550  -  Tel: +44 1865 275380  or  +33 609 843217