VMD-L Mailing List

From: Chris Harrison (charris5_at_gmail.com)
Date: Tue Jan 03 2012 - 18:37:13 CST

" same residue as (resname SOL) "

Best,
Chris 

--
Chris Harrison, Ph.D.
Theoretical and Computational Biophysics Group
NIH Resource for Macromolecular Modeling and Bioinformatics
Beckman Institute for Advanced Science and Technology
University of Illinois, 405 N. Mathews Ave., Urbana, IL 61801
char_at_ks.uiuc.edu                          Voice: 773-570-0329 
http://www.ks.uiuc.edu/~char              Fax:   217-244-6078
"Peter C. Lai" <pcl_at_uab.edu> writes:
> Date: Tue, 3 Jan 2012 17:50:00 -0600
> From: "Peter C. Lai" <pcl_at_uab.edu>
> To: vmd-l_at_ks.uiuc.edu
> Subject: vmd-l: select whole residues
> User-Agent: Mutt/1.5.21 (2010-09-15)
> 
> I have a silly question:
> 
> Is there a way to get a selection to include all atoms connected to the
> resid of another selection?
> 
> For example in my given structure I want to select all waters where 
> z > 87, but at z near 87 if I do "z > 87 and resname SOL", it will give me 
> waters with missing atoms at the cutoff interface. Is there a way to get the 
> selection to include the entire resid without having to parse the return of 
> $sel get resid and then construct a new selection string?
> 
> This would also help with incomplete selections using the within keyword
> as well...
> 
> -- 
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