[phenixbb] omit map with twinning?

Kelly Daughtry kddaught at bu.edu
Wed Feb 17 13:46:45 PST 2010

Hello all,
The omit_map in the new gui (version 1.5) is great, but I can not
include a twin law when calculating the omit map, thus the result is
very messy unclear maps. I do not know if 1.6 has the solution or not,
I am still lobbying our computer guy to upgrade to it...

Is there a way from the command line i can include the twin law in
autobuild so I can calculate the omit map, or can I just add it into
the eff file?

My other solution has been to use the create maps function with my
data and pdb with ligand removed.
This works, giving me a nice Fo-DFc map, but it would be nice to be
able to show a true omit map for the ligand, as is customary in most
structure papers I have run across.

Thanks in advance for any help you can provide!


Kelly Daughtry
PhD Candidate
Department of Physiology and Biophysics
Boston University School of Medicine
590 Commonwealth Ave
R 390
Boston MA, 02215
(P) 617-358-5548

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