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23 May
2021
23 May
'21
12:22 p.m.
On 22 May 2021, at 00:28, Pavel Afonine
wrote: Hi Florian,
you can't exclude selected atoms from refinement in phenix.real_space_refine. I might be able to suggest a workaround if you explain why you want to not refined particular atoms.
Hi Pavel, The residue is on a symmetry axis and moves into the density of a residue from a symmetry mate during real space refinement. But that’s all right, at the last step of my refinement strategy, I switch off real space refinement and keep reciprocal space refinement and it works just fine. Florian