VMD-L Mailing List

From: Justin Gullingsrud (justin_at_ks.uiuc.edu)
Date: Tue Mar 18 2003 - 16:19:36 CST

Hi,

On Tue, Mar 18, 2003 at 02:03:05PM -0800, B. Bennion wrote:
>
> Hi all,
>
> Is it possible to glean the number of residues that are found for a give
> atomselect command
>
> ie I want to know how many waters were found when I issue
> atomselect [water and same residue as (within 2.6 of protein)]
>
> Thanks for any help.
> Brian

Two ways off the top of my head:
1) Use "name OH2 and water and ...." so that you get one atom per water.
2) llength [lsort -unique [$sel get residue]]

Cheers,
Justin

>
>
>
>
>
> Graduate Research Assistant
> Dep. Medicinal Chemistry, University of Washington
> Tel# (206)616-2779
> BOX 357610 Seattle WA 98195
>
> email--bbennion_at_u.washington.edu
> web page--http://students.washington.edu/bbennion 

-- 
  Justin Gullingsrud        3111 Beckman Institute        217-244-8946
  I been dropping the new science, and I be kicking the new knowledge,
  and I'm seeing to a degree that you can't get in college.  -- b.boys