VMD-L Mailing List

From: Ashar Malik (asharjm_at_gmail.com)
Date: Mon Jan 25 2016 - 00:51:22 CST

Use curly braces so that the regex is seperated.

i.e.

set sel1 [atomselect top {name "H.*" and sqrt(sqr(x-$x1)+sqr(y-$y1)+sqr(z-
$z1)) < 5}]

hope this works.

On Mon, Jan 25, 2016 at 6:31 PM, Monika Madhavi <monikamadhavi_at_gmail.com>
wrote:

> Dear all,
>
> I want to select all the inter-molecular hydrogen atoms within a sphere of
> radius 5A from a central hydrogen atom. Coordinates of the central atom are
> x1,y1,z1. I tried this atomselect command.
>
> set sel1 [atomselect $mol "name "H.*" and
> sqrt(sqr(x-$x1)+sqr(y-$y1)+sqr(z-$z1)) < 5"]
>
> this gives me an error saying "extra characters after quoted text"
>
> Please help me to resolve this problem.
>
> Thank you.
> Monika
> --
> W.A.Monika Madhavi
> Lecturer (Probation),
> Department of Physics,
> University of Colombo.
> 

-- 
Best,
/A