Dear Marius,
Thomas discussed this issue in great detail in the supplement of our
recent publication
https://www.nature.com/articles/s41586-024-07032-9
Good luck,
Ilme
On 28/02/2024 17:43, Marius Schmidt wrote:
Dear All,
can someone quickly update me with a
way to refine a mixture of structures in
refmac or phenix.
For example, the mixture consists of
80 % structure 1 and 20 % structure 2.
It is important that structure 1 is kept
fixed (is not refined) and only structure
2 is varied.
Best
Marius
Marius Schmidt, Dr. rer. Nat. (habil.)
Professor
University of Wisconsin-Milwaukee
Kenwood Interdisciplinary Research Complex
Physics Department, Room 3087
3135 North Maryland Avenue
Milwaukee, Wi 53211
phone (office): 1-414-229-4338
phone (lab): 414-229-3946
email: smar...@uwm.edu
https://uwm.edu/physics/people/schmidt-marius/
<https://uwm.edu/physics/people/schmidt-marius/>
https://sites.uwm.edu/smarius/ <https://sites.uwm.edu/smarius/>
https://www.bioxfel.org/ <https://www.bioxfel.org/>
Nature News and Views:
https://www.nature.com/articles/d41586-023-00504-4
<https://www.nature.com/articles/d41586-023-00504-4>
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Ilme Schlichting
Max-Planck Institute for Medical Research
Department of Biomolecular Mechanisms
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