[phenixbb] pdbtools: how to set the occupancy for an atom selection?
pafonine at lbl.gov
Mon Apr 13 08:20:34 PDT 2015
Phenix GUI -> Model tools -> PDB Tools -> Options -> click on
Occupancies -> in popped up window type in atom selection and choose one
of three available actions (randomize..., set..., reset...) -> hit OK ->
I think that should do it.
In the command line:
phenix.pdbtools model.pdb occupancies.set=0.46 selection="chain A and
On 4/13/15 6:46 AM, Alejandro Virrueta wrote:
> I was wondering if someone could show me a way to set the occupancy of
> a specific set of atoms to 0 using phenix.pdbtools.
> I noticed here
> <http://www.phenix-online.org/download/documentation/cci_apps/pdbtools.html#anch2> that
> there is no option under modify => occupancies to do an
> 'atom_selection'. Any help would be appreciated.
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