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 --------------------------------------------------------------- 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: [email protected] [[email protected]] On Behalf Of Simon Kolstoe [[email protected]] 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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