VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Tue May 18 2010 - 23:40:16 CDT

Hi,
  Indeed, looking at the script, the intention is obviously that you're
meant to supply two atom selections to the "sel_sel_angle" procedure,
not two vectors. (you can tell, as the first thing it does is call
"$sel get x" ...)

So you need to create two atom selections and pass them in as parameters.

Cheers,
  John Stone
  vmd_at_ks.uiuc.edu

On Wed, May 19, 2010 at 09:44:46AM +0530, jani vinod wrote:
> Thank you sir for the reply
> the following script was posted by Justin Gullingsrud
>
> http://www.ks.uiuc.edu/Research/vmd/mailing_list/vmd-l/att-2279/fit_angle.tcl
>
> and I am using the same for the calculation.
>
> So can you guide how I will able to calculate angle between two vectors.
>
> On Wed, May 19, 2010 at 2:32 AM, John Stone <johns_at_ks.uiuc.edu> wrote:
>
> Hi,
> Since you didn't include the full script it's hard to guess if
> "sel1" and "sel2" are actually vectors or if they are VMD atom
> selection objects. My guess is that they are atom selection objects
> and not vectors based on the name of the procedure and the names of
> the parameters.
> Cheers,
> John Stone
> vmd_at_ks.uiuc.edu
>
> On Tue, May 11, 2010 at 05:34:20PM +0530, jani vinod wrote:
> > Hello sir,
> > I want to calculate angle between two vectors.
> > vec1 would be having two points start and end
> > vec2 similarly would be having start and end
> >
> > so when I am using the following procedure
> >
> > proc sel_sel_angle { sel1 sel2 } {
> >
> > because if sel1 and sel2 are single points then lsq procedure is
> returns
> > zero value
> >
> > Actually the problem is how to passing the vectors to
> sel_sel_angle.
> >
> > I would be very thankful if you can explain me by some example
> >
> > Thanking you
> > vinod
>
> --
> NIH Resource for Macromolecular Modeling and Bioinformatics
> Beckman Institute for Advanced Science and Technology
> University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801
> Email: johns_at_ks.uiuc.edu Phone: 217-244-3349
> WWW: http://www.ks.uiuc.edu/~johns/ Fax: 217-244-6078 

-- 
NIH Resource for Macromolecular Modeling and Bioinformatics
Beckman Institute for Advanced Science and Technology
University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801
Email: johns_at_ks.uiuc.edu                 Phone: 217-244-3349
  WWW: http://www.ks.uiuc.edu/~johns/      Fax: 217-244-6078