VMD-L Mailing List
From: John Stone (johns_at_ks.uiuc.edu)
Date: Mon Apr 18 2011 - 15:58:07 CDT
- Next message: Axel Kohlmeyer: "Re: waters selection"
- Previous message: agustina_at_cabm.rutgers.edu: "waters selection"
- In reply to: agustina_at_cabm.rutgers.edu: "waters selection"
- Next in thread: Axel Kohlmeyer: "Re: waters selection"
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]
Hi,
Add "same residue as" to the front of your selection and you should
get the whole waters...
Cheers,
John Stone
vmd_at_ks.uiuc.edu
On Mon, Apr 18, 2011 at 04:49:09PM -0400, agustina_at_cabm.rutgers.edu wrote:
> Hello,
>
> I want to select all water molecules within a given distance from the
> protein, so I'm using the following command:
>
> "resname WAT and within 2 of protein"
>
> However, this selects only the individual atoms H or O of the water
> molecule that are within 2 ang. I would like to select the entire water
> molecule, even though only one of the three atoms are within 2 ang of the
> protein.
>
> Thanks in advance.
>
> Agustina
-- NIH Resource for Macromolecular Modeling and Bioinformatics Beckman Institute for Advanced Science and Technology University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801 Email: johns_at_ks.uiuc.edu Phone: 217-244-3349 WWW: http://www.ks.uiuc.edu/~johns/ Fax: 217-244-6078
- Next message: Axel Kohlmeyer: "Re: waters selection"
- Previous message: agustina_at_cabm.rutgers.edu: "waters selection"
- In reply to: agustina_at_cabm.rutgers.edu: "waters selection"
- Next in thread: Axel Kohlmeyer: "Re: waters selection"
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]