[phenixbb] How to make simmulated annealing omit map
Terwilliger, Thomas C
terwilliger at lanl.gov
Fri Dec 7 07:39:19 PST 2012
You should be able to make a sa-omit map the same was as you make an omit map if you include the keyword composite_omit_type=sa_omit
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
Let me know if that doesn't do it!
All the best,
On Dec 7, 2012, at 3:41 AM, Appu kumar wrote:
I am refining a enzyme structure with ligand. I want to make the simulated annealing omit map of ligand including with 4 Angestron radius around the ligand. I am seeking your valuable advice to help me out. I know how to make omit map but i have not come accross making simmulated annealing omit map.
I would appreciate your help.
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