[phenixbb] Picking Rfree in thin resolution shells using command line

[Simon Kolstoe]

ahh sorry - I should have said specifically using phenix. I know how to do it in sftools & dataman however command line phenix is so simple and easy compared to these other programs!

Simon

---------------------------------------------------------------
Dr Simon Kolstoe
Laboratory for Protein Crystallography
Wolfson Drug Discovery Unit
University College London
Rowland Hill Street, London NW3 2PF

Tel: 020 7433 2765
http://www.ucl.ac.uk/~rmhasek
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On 30 Jan 2012, at 12:04, Weiergräber, Oliver H. wrote:

> I routinely use sftools for this task.
> After reading the original mtz file, delete the old Rfree column (if any) and create a new one with
> rfree 0.05 shell (replace 0.05 with whatever fraction you prefer)
> 
> Regards,
> Oliver
> 
> ================================================
>  PD Dr. Oliver H. Weiergräber
>  Institute of Complex Systems
>  ICS-6: Structural Biochemistry
>  Tel.: +49 2461 61-2028
>  Fax: +49 2461 61-1448
> ================================================
> 
> 
> 
> 
> 
> 
> 
> ________________________________________
> From: phenixbb-bounces at phenix-online.org [phenixbb-bounces at phenix-online.org] On Behalf Of Simon Kolstoe [s.kolstoe at ucl.ac.uk]
> Sent: Monday, January 30, 2012 12:43 PM
> To: PHENIX user mailing list
> Subject: [phenixbb] Picking Rfree in thin resolution shells using command       line
> 
> Dear phenixbb,
> 
> I see from a quick google that it is possible to pick my Rfree's using thin resolution shells (coz I've got 20 fold NCS), however as I am someone who tries to avoid the GUI where at all possible, could someone let me know what the command line way of doing this is?
> 
> Thanks,
> 
> Simon
> 
> ---------------------------------------------------------------
> Dr Simon Kolstoe
> Laboratory for Protein Crystallography
> Wolfson Drug Discovery Unit
> University College London
> Rowland Hill Street, London NW3 2PF
> 
> Tel: 020 7433 2765
> http://www.ucl.ac.uk/~rmhasek
> ---------------------------------------------------------------
> 
> 
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