[Chimera-users] How to select solvent molecule by residue number ?

Elaine Meng meng at cgl.ucsf.edu
Tue Dec 20 08:45:59 PST 2011

Hi Marek,
Without an example, I could only suggest trying something like

select :515.water
select :515 & solvent

If that doesn't work, I would need an example file (could send to just me if you don't want to send to the whole list).

Elaine C. Meng, Ph.D. 
UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab
Department of Pharmaceutical Chemistry
University of California, San Francisco

On Dec 19, 2011, at 6:27 PM, Marek Maly wrote:

> Hello,
> it seems that if some amber trajectory but also PDB containing solvated  
> structure/s is
> loaded into Chimera, there is impossible to select by residue number
> (using command SELECT in command line or by dialog SELECT->ATOM SPECIFIER)  
> any
> solvent reside (at least in case of WAT solvent).
> Am I right ?
> Perhaps it is possible but maybe with some more complicated command than  
> the usual
> select :N
> where N is the residue number.
> Thanks in advance for any comments !
>      Best wishes,
>        Marek
> PS: I am using alpha version from 18th November, but I remember this  
> problem also from previous versions.

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