VMD-L Mailing List

From: Rogan Carr (rogan_at_ks.uiuc.edu)
Date: Tue Apr 21 2009 - 09:03:35 CDT

Hi Max,

You should use `atomselect' for this. You can do something like
`set other_selection [atomselect $molID "x > 0 and x < 10"]'

where $molID is the # corresponding to your second molecule.

Cheers,
Rogan

On Apr 21, 2009, at 8:50 AM, Max wrote:

>
> Hi all, I am trying to change the representation for a molecule
> using some
> of its coordinates. But I could not make a selection for x, y and z
> using
> "mol selection". Actually I loaded two files named match.sdf and
> mol.sdf,
> so I got the coordinates from match.sdf using:
>
>> set p [atomselect 0 all]
>> set xyz [$p get {x y z}]
>
> So, now I would like to highlight those coordinates in the other file
> (mol.sdf) using a mol representation. Any idea?
>
> Thanks Max