[phenixbb] exclude atoms/regions in real space refinement

Filip Van Petegem filip.vanpetegem at gmail.com
Thu Jul 4 17:15:17 PDT 2019


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: filip.vanpetegem at gmail.com
http://crg.ubc.ca/VanPetegem/
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