VMD-L Mailing List

From: Josh Vermaas (vermaas2_at_illinois.edu)
Date: Sat Feb 22 2014 - 17:49:43 CST

You are very close. noh and exwithin 0.5 of noh. "exwithin" is basically
the "within" keyword, but an atom is excluded from its own within list.
-Josh Vermaas

On 02/21/2014 09:56 PM, Jacob Durrant 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/%7Ejdurrant/>, PhD
> Rommie E. Amaro Research Group <https://amarolab.ucsd.edu/>
> University of California, San Diego
>
> Connect with me on LinkedIn
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