Hi Filip, no, this is not possible in phenix.real_space_refine at the moment. I feel the pressure by having this sort of questions multiple times a week, on and off list. So implementing this functionality is in my todo list. I can't hint you about ETA given I'm booked all the way till November, sorry. A question I ask everyone who requests this feature: why you need to do this and why cutting out a piece of model and a map in a box isn't working to mimic this? Cheers, Pavel On 7/4/19 17:15, Filip Van Petegem wrote:
Dear Phenix users,
I want to exclude particular regions of a protein model, docked into a cryo-EM map, from real-space refinement. I know this is possible for refinement in reciprocal space, but is this possible for refining a cryo-EM structure against a map? E.g. I want to totally exclude a region with known crystal structure, placed in an area of poor local resolution, from any form of refinement, but want to apply all other options (morphing, simulated annealing, adp, Global minimization) to the remainder of the structure.
(I didn't see this option in https://www.phenix-online.org/documentation/reference/real_space_refine.html )
best regards,
Filip
-- Filip Van Petegem, PhD Professor, Dept. of Biochemistry and Molecular Biology The University of British Columbia 2350 Health Sciences Mall - Rm 2.356 Vancouver, V6T 1Z3
phone: +1 604 827 4267 email: [email protected] mailto:[email protected] http://crg.ubc.ca/VanPetegem/
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