[phenixbb] Picking Rfree in thin resolution shells using command line
Weiergräber, Oliver H.
o.h.weiergraeber at fz-juelich.de
Mon Jan 30 04:04:30 PST 2012
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
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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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