[Chimera-users] delete water residues: mangled atom specifier

Elaine Meng meng at cgl.ucsf.edu
Mon Oct 6 15:30:46 PDT 2014


Hi George,
You need something more like:

del  :wat  &  ~  :1355.water

(delete wat residues AND NOT residue 1355 in water chain)

I hope this helps,
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 Oct 6, 2014, at 2:02 PM, George Tzotzos <gtzotzos at me.com> wrote:

> I’m running an amber trajectory and in particular snapshots I’d like to delete all water molecules but one.
> 
> If I do 
> 
> del :WAT !1355.water 
> 
> I get a “mangled atom specifier”. Obviously I got the wrong syntax. Your help will be much appreciated
> 
> Regards
> 
> George




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