[phenixbb] Simulated annealing map
Terwilliger, Thomas C
terwilliger at lanl.gov
Mon Dec 10 10:06:50 PST 2012
The map of the omitted region is indeed supposed to be just a box. It is provided so that you can verify that the region that was omitted is the region you wanted omitted.
If you want a nice picture of the remainder of the molecule, then I'd just calculate a 2mFo-DFc map after deleting the ligand. (As an aside, you could of course have calculated your SA-omit map that way too, just deleting the ligand and running SA refinement).
I hope that helps!
All the best,
From: phenixbb-bounces at phenix-online.org [phenixbb-bounces at phenix-online.org] on behalf of Appu kumar [appu.kumar9 at gmail.com]
Sent: Sunday, December 09, 2012 9:17 PM
To: phenixbb at phenix-online.org
Subject: [phenixbb] Simulated annealing map
Thank you Terwilliger, Thomas for you quick reply, for guiding me on how to make simulated annealing omit map. Now i am able to make it but i have one question. i want to show the SA omit map of ligand with the map of omitted region around ligand. I tried it, i got the map also, but the omitted map of region around ligand is show in recatangular box which is not as great as of ligand inside the omitted region.
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