[phenixbb] Masking a ligand

[Tom Terwilliger]

Hi Esmael,

You can do that with a script file like this to remove density near  
coords.pdb from the map in mymap.mtz

#!/bin/csh -f
phenix.resolve<<EOD
hklin mymap.mtz
labin FP=myFP PHIB=myPHIB FOM=myFOM
model coords.pdb
mask_map
EOD

Your masked map coeffs will be written to masked_map_coeffs.mtz .

All the best,
Tom T

On Jul 8, 2010, at 1:25 PM, esmael wrote:

> Hi,
>
> I am working with a protein that has many ligands; I need a density  
> map in the "MTZ" format without ligands.  Is there a way to do this?
>
> Thanks a lot,
> Esmael
>
>
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Thomas C. Terwilliger
Mail Stop M888
Los Alamos National Laboratory
Los Alamos, NM 87545

Tel:  505-667-0072                 email: terwilliger at LANL.gov
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