VMD-L Mailing List

From: Mike Makowski (mmakowsk_at_uci.edu)
Date: Sat Feb 22 2014 - 00:05:19 CST

Hi Jacob,

There may be a simpler way identifying those molecules, but if you want to
exclude the selection that includes the same molecule in question, try "and
not same residue as 'residue' ". This will only select other molecules
within your defined range. Hope this helps.

Regards,
Mike

Michael Makowski
University of California, Irvine
Department of Chemistry,
Chemical and Material Physics,
Irvine, CA 92617
Cell: 267 588 9865

On Fri, Feb 21, 2014 at 7:56 PM, Jacob Durrant <jacobdurrant_at_gmail.com>wrote:

> Hi all. Is there an atom selection to identify steric clashes? At first I
> thought something like "noh within 0.5 of noh" might work, but each atom is
> identified as being very near itself, so this section ends up being
> equivalent to "all".
>
> Thanks,
>
> Jacob
>
> --
> ==============================
> Jacob D. Durrant <https://amarolab.ucsd.edu/~jdurrant/>, PhD
> Rommie E. Amaro Research Group <https://amarolab.ucsd.edu/>
> University of California, San Diego
>
> Connect with me on LinkedIn<http://www.linkedin.com/profile/view?id=94290749>
> jacobdurrant_at_gmail.com
> jdurrant_at_ucsd.edu
>