VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Wed Jul 03 2013 - 03:56:14 CDT

On Wed, Jul 3, 2013 at 10:00 AM, Gurunath Katagi
<gurunath.katagi_at_gmail.com> wrote:
> Dear all,
> I have a set of coordinates (only x y z values) from a pdb files without
> any other column information.
> So is there a way in vmd in which i give x y z values as the selection and
> get the serial or index number of that atom using atomselect command..
>
> something like:
> set s1 [atomselect top "coordinates x y z"
> $s get serial
>
> Does anybody know how to go about it..?

you can't have an exact match, since you are dealing with floating
point numbers.
but you could do selections of the kind "x > 0.1 and x < 0.11 and y >
1.99 and y < 2.01 and z < -2.99 and z > -3.01"

axel.

>
> Thank you
> Gurunath 

--
Dr. Axel Kohlmeyer  akohlmey_at_gmail.com  http://goo.gl/1wk0
International Centre for Theoretical Physics, Trieste. Italy.