[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.
More information about the Chimera-users
mailing list