on XYZ individual (reciprocal space) refinement
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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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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
-
Oleg Sobolev