[phenixbb] Exclude atoms from real space refinement

Florian Nachon mailinglist at nachon.net
Sun May 23 05:22:56 PDT 2021

> On 22 May 2021, at 00:28, Pavel Afonine <pafonine at lbl.gov> 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.


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