VMD-L Mailing List

From: Ashar Malik (asharjm_at_gmail.com)
Date: Wed Jan 02 2019 - 15:14:44 CST

A quick look at "a" distance.tcl script online shows that it takes as input
selection text not selections.

Try this:

set sel1 “protein and resid 450”
set sel2 “protein and resid 471”

distance $sel1 $sel2 10 test-r.dat test-d.dat

Not sure if this is the fix or not -- but try.

On Thu, Jan 3, 2019 at 4:20 AM Seibold, Steve Allan <stevesei_at_ku.edu> wrote:

> Hello
>
> I think this is a simple problem, but I can’t seem to fix it…
>
>
>
> I have loaded into vmd my psf file and the accompanying dcd file.
>
>
>
> Then, using the TkConsole,:
>
> >set sel1 [atomselect top “protein and resid 450”]
>
> >atomselect0
>
> >set sel2 [atomselect top “protein and resid 471”]
>
> >atomselect1
>
> >source distance.tcl
>
> >distance $sel1 $sel2 10 test-r.dat test-d.dat
>
> Atomselect: cannot parse selection text : atomselect0
>
> >$sel1 get resname
>
> GLY GLY GLY GLY GLY GLY GLY GLY GLY
>
>
>
> GLY is the first three residues of the peptide…450, 451, 452…
>
>
>
> Can someone tell me what I am doing incorrectly?
>
>
>
> Thanks, Steve
> 

-- 
Best,
/A