[Chimera-users] Residue selection

[George Tzotzos]

Many thanks Mark,

Much appreciated

George

On Nov 14, 2013, at 12:44 PM, Mark Girvin <mark.girvin at einstein.yu.edu> wrote:

> I don't know why that doesn't work, but:
> 
> select :WAT at O 
> 
> seems to (if you only have the one water in your pdb file), as does:
> 
> select :127.water at O  
> 
> (which would presumably limit the selection to the one water molecule)
> 
>  - Mark
> From: chimera-users-bounces at cgl.ucsf.edu [chimera-users-bounces at cgl.ucsf.edu] on behalf of George Tzotzos [gtzotzos at me.com]
> Sent: Thursday, November 14, 2013 8:08 AM
> To: chimera List
> Subject: [Chimera-users] Residue selection
> 
> I'm attaching a pdb file of a protein ligand complex with a single conserve water molecule.  The pdb file was constructed with Antechamber Leap. The water molecule is numbered as residue 127. When I try to select using: select :127 nothing happens. Selection works with: select :WAT
> 
> The problem is that I need to monitor the distance between :127 at O and a particular atom in the binding site of the protein during an MD trajectory.
> 
> My question is if I'm doing something wrong with the residue selection.
> 
> Many thanks in advance for your help
> 
> Regards
> 
> George
> 
> _______________________________________________
> Chimera-users mailing list
> Chimera-users at cgl.ucsf.edu
> http://plato.cgl.ucsf.edu/mailman/listinfo/chimera-users

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://plato.cgl.ucsf.edu/pipermail/chimera-users/attachments/20131114/ae0cd1cb/attachment.html>