VMD-L Mailing List

From: Mgr. Lubos Vrbka (lubos.vrbka_at_uochb.cas.cz)
Date: Thu Jul 13 2006 - 07:37:58 CDT

Vlad Cojocaru wrote:
> Dear vmd users,
>
> A short question (maybe its a stupid one - but for some reason I didnt
> figure it out yet) about selection. I would like to select alll waters
> that are lets say within 5A of certain protein residues, but I would
> like to have only those waters that have each of its atoms within that
> distance. In other words, I would like to avoid getting incomplete water
> molecules under my selection. If I use "water within 5 A of protein",
> some of the waters contain only O atom or only H1 or H2....
>
> Is there a way to do that?
>
> Thanks
> vlad
>
i guess something like
same residue as (water within 5 of protein)
might do the trick

l. 

-- 
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Mgr. Lubos Vrbka
Center for Biomolecules and Complex Molecular Systems
Institute of Organic Chemistry and Biochemistry
Academy of Sciences of the Czech Republic
Prague, Czech Republic
http://www.vrbka.net
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