VMD-L Mailing List

From: Vlad Cojocaru (Vlad.Cojocaru_at_eml-r.villa-bosch.de)
Date: Thu Jul 13 2006 - 04:09:17 CDT

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 

-- 
Dr. Vlad Cojocaru
EML Research gGmbH
Molecular and Cellular Modeling Group
Schloss-Wolfsbrunnenweg 33
69118 Heidelberg, Germany
Phone: +49-6221-533266
Fax: +49-6221-533298
e-mail: Vlad.Cojocaru_at_eml-r.villa-bosch.de
http://projects.villa-bosch.de/mcm/people/cojocaru/