Dmitry
I suspect you will need to add some restraints but if you send me the
model, I can take a look.
Cheers
Nigel
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Nigel W. Moriarty
Building 33R0349, Molecular Biophysics and Integrated Bioimaging
Lawrence Berkeley National Laboratory
Berkeley, CA 94720-8235
Email : [email protected]
Web : CCI.LBL.gov
ORCID : orcid.org/0000-0001-8857-9464
On Sat, Nov 4, 2023 at 1:16 PM Dmitry Semchonok
Dear colleagues,
While refining my model, the Mg atom for some of the margin units moves far away from them. I am also using the ELBOW files of Mg during the refinement.
What is the way to restrict the movement of atoms during refinement?
I found that this behaviour can be observed after simulated annealing is on. And the harmonic_restraints may be acquired to restrict atom movement.
Is that right?
I am using the GUI version of Phenix, and I cannot see those parameters.
Thank you.
Sincerely,
Dmitry
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