How to define Fobs labels for phenix.refine in command line mode
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Dear All, Is it possible to define the Fobs (or) Iobs labels for phenix.refine in command line mode? Thanks Karthikeyan S. IMTECH, Chandigarh India
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Try something in the form of: refinement.input.xray_data.labels="Fobs,SigFobs" usually if you make a guess and do: phenix.refine labels="Fobs" it'll return the list of possibilities: Best matches: refinement.input.neutron_data.labels refinement.input.xray_data.labels refinement.input.experimental_phases.labels although looking through the .eff/.def files will often make it clear. Cheers Phil Jeffrey Princeton On 9/27/16 11:00 AM, Karthikeyan Subramanian wrote:
Dear All,
Is it possible to define the Fobs (or) Iobs labels for phenix.refine in command line mode?
Thanks
Karthikeyan S.
IMTECH, Chandigarh
India
![](https://secure.gravatar.com/avatar/028581e1dbcbcbf265ead59482f8e93c.jpg?s=120&d=mm&r=g)
Thank you Phil, it worked.... With regards Karthik On 27-09-2016 08:44 PM, Phil Jeffrey wrote:
Try something in the form of:
refinement.input.xray_data.labels="Fobs,SigFobs"
usually if you make a guess and do:
phenix.refine labels="Fobs" it'll return the list of possibilities: Best matches: refinement.input.neutron_data.labels refinement.input.xray_data.labels refinement.input.experimental_phases.labels
although looking through the .eff/.def files will often make it clear.
Cheers Phil Jeffrey Princeton
On 9/27/16 11:00 AM, Karthikeyan Subramanian wrote:
Dear All,
Is it possible to define the Fobs (or) Iobs labels for phenix.refine in command line mode?
Thanks
Karthikeyan S.
IMTECH, Chandigarh
India
participants (2)
-
Karthikeyan Subramanian
-
Phil Jeffrey