[phenixbb] Reference model restraints

Luca Pellegrini lp212 at cam.ac.uk
Wed Aug 31 02:51:42 PDT 2022


Phenix.real_space_refine keeps pushing a residue out of density so I'd like to restrain it to its current position. Can you please let me know how to implement in the GUI the first example at point 14 at https://phenix-online.org/documentation/reference/real_space_refine.html#usage-examples?

phenix.real_space_refine model.pdb map.mtz \
reference_coordinate_restraints.enabled=true \
reference_coordinate_restraints.selection="chain A and resseq 12:21" \

Best wishes,

Luca Pellegrini, PhD
Department of Biochemistry
University of Cambridge
Cambridge CB2 1GA

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