[phenixbb] omit map
Desi Mail
desimail007 at gmail.com
Fri Jun 3 07:21:21 PDT 2011
Hi everybody,
I would like to calculate the omit map around the ligand. I followed the
documentation
http://www.phenix-online.org/documentation/autobuild.htm#anch159
But the 2Fo density around the ligand is very poor.
Any help is appreciated.
Thanks
Mary
Make a SA-omit map around atoms in target.pdb
phenix.autobuild data=data.mtz model=coords.pdb
omit_box_pdb=target.pdb composite_omit_type=sa_omit
Coefficients for the output omit map will be in the file
resolve_composite_map.mtz in the subdirectory OMIT/ . An additional map
coefficients file omit_region.mtz will show you the region that has been
omitted. (Note: be sure to use the weights in both resolve_composite_map.mtz
and omit_region.mtz).
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