VMD-L Mailing List
From: Marc Baaden (baaden_at_smplinux.de)
Date: Tue Oct 29 2002 - 12:59:56 CST
- Next message: John Stone: "Re: positioning a protein with trans etc."
- Previous message: John Stone: "Re: reference about structure"
- Next in thread: John Stone: "Re: positioning a protein with trans etc."
- Reply: John Stone: "Re: positioning a protein with trans etc."
- Maybe reply: Marc Baaden: "Re: positioning a protein with trans etc."
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]
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
- Next message: John Stone: "Re: positioning a protein with trans etc."
- Previous message: John Stone: "Re: reference about structure"
- Next in thread: John Stone: "Re: positioning a protein with trans etc."
- Reply: John Stone: "Re: positioning a protein with trans etc."
- Maybe reply: Marc Baaden: "Re: positioning a protein with trans etc."
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]