on XYZ individual (reciprocal space) refinement
Dear All, Will you please tell me the XYZ individual (reciprocal space) refinement is executed by which strategy of the Phnix refinement? By XYZ coordinates, or by Optimize X-ray/ADP weight,or by Optimize X-ray/sterochemistry weight? Dialing
Dear Dialing,
XYZ individual refinement is executed by XYZ coordinates option in the GUI.
Other options are optimizing the weights between the data and
ADP/stereochemistry respectively which may influence the refinement but are
not necessary for coordinate refinement.
You may find a thorough description here:
http://www.phenix-online.org/documentation/reference/refine_gui.html
Chapters "Parametrization" and "Targets and Restraints".
Best regards,
Oleg Sobolev.
On Tue, Feb 10, 2015 at 12:13 AM, Dialing Pretty
Dear All,
Will you please tell me the XYZ individual (reciprocal space) refinement is executed by which strategy of the Phnix refinement? By XYZ coordinates, or by Optimize X-ray/ADP weight,or by Optimize X-ray/sterochemistry weight?
Dialing
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participants (2)
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Dialing Pretty
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Oleg Sobolev