VMD-L Mailing List

From: Hitesh Patel (hiteshpatel379_at_gmail.com)
Date: Tue Sep 06 2011 - 04:20:35 CDT

Hello Filip,
use "or" instead of "and" between two residues X and Y.. like..
*
*
*water and within 3 of (residue X or residue Y)*

because there will be no intersection of residue X and Y.
Regards,

Hitesh Patel

On Tue, Sep 6, 2011 at 10:08 AM, Filip Persson <filip.persson_at_gmail.com>wrote:

> Hello,
> I am trying to define a cavity in a protein using the atom selection
> command in VMD. I tried using
>
> *water and within 3 of (residue X and residue Y)*
>
> in the 'selected atoms-field' in the graphical representations window, but
> nothing happens. Changing the distance does not help, so obviously I must be
> doing something wrong here. Is it possible to define cavities in a way
> similar to the command above, or should I use any other type of selection
> command?
>
> Thanks!
>
> Best,
> Filip
>
>