composite omit map command phenix 16

11 Mar
2010
11 Mar
'10
8:58 p.m.
Hi, How can I generate a composite omit map from the command line in Phenix16? Thanks, John

12 Mar
12 Mar
2:32 a.m.
Hi John, You can do this with: phenix.autobuild data=data.mtz model=coords.pdb composite_omit_type=sa_omit You might also want to add: n_box_target=24 to try and make 24 boxes (it will make a number of boxes that is nicely divisible into your cell trying to match the number you target as well as possible). The default is 12, which may be too low. (I have just changed the default to 24). If you want a simple omit map (just refine, no simulated annealing), replace the "sa_omit" with "simple_omit". All the best, Tom T
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John Bruning
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Thomas C. Terwilliger