VMD-L Mailing List

From: Björn Windshügel (windshuegel_at_zbh.uni-hamburg.de)
Date: Tue Dec 02 2008 - 08:20:30 CST

Hi all,

I have a problem regarding the rotation of molecules. For some reason I'd like
to rotate a protein around the X- and Z-axis for 180 degrees and save the new
coordinates.
First I have used the "orient" script to align the principal axes with the x,
y and z directions. Then I use the following commands:
set sel [atomselect top "all"]
$sel move [trans z 180]

What I would expect is rotation of the molecule along the z axis but in
addition to the rotation the protein is also translated in x and y direction
(real coordinates, not just the view).
Can anyone explain why this happens and how to avoid it? Would be great to get
some ideas to solve the problem.

With best regards,

Bjoern 

-- 
Dr. Björn Windshügel
Centre for Bioinformatics
University of Hamburg
Bundesstr. 43
20146 Hamburg
Email: windshuegel_at_zbh.uni-hamburg.de
Phone: +49-40-42838-7372
Fax: +49-40-42838-7352