How to define Fobs labels for phenix.refine in command line mode
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
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
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)
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Karthikeyan Subramanian
-
Phil Jeffrey