VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_cmm.chem.upenn.edu)
Date: Fri Oct 06 2006 - 12:54:58 CDT

On Fri, 6 Oct 2006, Jennie Thomas wrote:

JT> Hello all,

dear jennie,

JT> Does anyone have an example .tcl script that uses the new measure
JT> gofr command? I am able to use the GUI without any problem, but I
JT> need a bit of help to incorporate this into a script. After looking
JT> in the manual I still can't quite get the syntax right. If anyone
JT> has an example, I would really appreciate it.

how about looking at the GUI script itself?
check out the ::GofrGUI::runmeasure subroutine.
if you ignore the plotting related parts, it
should provide all you need.

let me know if you need more (and if you find a
nice application).

cheers,
    axel.

JT>
JT> With thanks,
JT> Jennie Thomas
JT> 

-- 
=======================================================================
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.