[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
or
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).

Best,
Elaine
----------
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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