[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
================================================







________________________________________
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
---------------------------------------------------------------




_______________________________________________
phenixbb mailing list
phenixbb at phenix-online.org
http://phenix-online.org/mailman/listinfo/phenixbb

-------------------------------------------------------------------------------
-------------------------------------------------------------------------------
Forschungszentrum Juelich GmbH
52425 Juelich
Sitz der Gesellschaft: Juelich
Eingetragen im Handelsregister des Amtsgerichts Dueren Nr. HR B 3498
Vorsitzender des Aufsichtsrats: MinDir Dr. Karl Eugen Huthmacher
Geschaeftsfuehrung: Prof. Dr. Achim Bachem (Vorsitzender),
Karsten Beneke (stellv. Vorsitzender), Prof. Dr.-Ing. Harald Bolt,
Prof. Dr. Sebastian M. Schmidt
-------------------------------------------------------------------------------
-------------------------------------------------------------------------------

Kennen Sie schon unsere app? http://www.fz-juelich.de/app


More information about the phenixbb mailing list