VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_cmm.chem.upenn.edu)
Date: Thu Jul 12 2007 - 10:37:40 CDT

On Thu, 12 Jul 2007, Bhaskar Jyoti Borah wrote:

BJB>
BJB>
BJB> Dear Axel,
BJB>
BJB> The problem is that the File--->Save coordinates option
BJB> doesnot highlight.That's why I am facing problem. Do I have to do
BJB> something to highlight this option?

save can only refer to one 'molecule' (i.e. system/file), so you
have to first click on the molecule name within the VMD Main window,
so it becomes yellow and then the save option will be available.
you can also right-click on the name and get there directly.

i guess the documentation needs to be a bit more specific about this...

cheers,
   axel.

BJB>
BJB> bhaskar
BJB>
BJB>
BJB> On Thu, 12 Jul 2007, Axel Kohlmeyer wrote:
BJB>
BJB> > On Thu, 12 Jul 2007, Bhaskar Jyoti Borah wrote:
BJB> >
BJB> > dear bhaskar,
BJB> >
BJB> > how about:
BJB> > File->Save Coordinates ?
BJB> >
BJB> > please have a look at the manual for details.
BJB> >
BJB> > axel.
BJB> >
BJB> > BJB>
BJB> > BJB>
BJB> > BJB> Dear all,
BJB> > BJB>
BJB> > BJB> Suppose I have loaded a molecule and also suppose
BJB> > BJB> there are some non bonded atoms are there in the structue.
BJB> > BJB> Now I have moved one of the nonbonded atoms to a different
BJB> > BJB> location using move-->atom option. Now I have a different
BJB> > BJB> topology of the molecule. Can I export the coordinates of the
BJB> > BJB> changed structure( after movement of the atom) to a .xyz or any
BJB> > BJB> other file? If possible how do I do it. Thanks in advance
BJB> > BJB>
BJB> > BJB> Kind regards
BJB> > BJB> Bhaskar
BJB> > BJB>
BJB> > BJB>
BJB> > BJB>
BJB> >
BJB> >
BJB>
BJB> 

-- 
=======================================================================
Axel Kohlmeyer   akohlmey_at_cmm.chem.upenn.edu   http://www.cmm.upenn.edu
   Center for Molecular Modeling   --   University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582,  fax: 1-215-573-6233,  office-tel: 1-215-898-5425
=======================================================================
If you make something idiot-proof, the universe creates a better idiot.