Specify particular columns from data files on the command line
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Hi all (again)- I'm trying to run DEN refinement in Phenix from the command line. How do I specify certain columns from multiple data files (in my case, 2 MTZ files) to be used? For example, the Rfree flags from one and the hkl data from the other. Thanks! Brad C. Bennett Research Associate- Mark Yeager Lab University of Virginia Molecular Physiology and Biological Physics 320 Snyder Building 480 Ray C. Hunt Drive Charlottesville, VA 22908 Email: [email protected] Lab phone: 434-243-2520
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Hi Brad, for example: phenix.refine model.pdb data.mtz xray_data.labels=FOBS xray_data.file_name=xxx.mtz xray_data.r_free_flags.label=FREE xray_data.r_free_flags.file_name=zzz.mtz Pavel On 11/30/12 11:38 AM, Brad C. Bennett wrote:
Hi all (again)- I'm trying to run DEN refinement in Phenix from the command line. How do I specify certain columns from multiple data files (in my case, 2 MTZ files) to be used? For example, the Rfree flags from one and the hkl data from the other.
Thanks!
Brad C. Bennett Research Associate- Mark Yeager Lab University of Virginia Molecular Physiology and Biological Physics 320 Snyder Building 480 Ray C. Hunt Drive Charlottesville, VA 22908 Email: [email protected] Lab phone: 434-243-2520 _______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb
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That worked!
Thanks Pavel-
Brad
On Fri, 30 Nov 2012 11:41:28 -0800
Pavel Afonine
Hi Brad,
for example:
phenix.refine model.pdb data.mtz xray_data.labels=FOBS xray_data.file_name=xxx.mtz xray_data.r_free_flags.label=FREE xray_data.r_free_flags.file_name=zzz.mtz
Pavel
On 11/30/12 11:38 AM, Brad C. Bennett wrote:
Hi all (again)- I'm trying to run DEN refinement in Phenix from the command line. How do I specify certain columns from multiple data files (in my case, 2 MTZ files) to be used? For example, the Rfree flags from one and the hkl data from the other.
Thanks!
Brad C. Bennett Research Associate- Mark Yeager Lab University of Virginia Molecular Physiology and Biological Physics 320 Snyder Building 480 Ray C. Hunt Drive Charlottesville, VA 22908 Email: [email protected] Lab phone: 434-243-2520 _______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb
_______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb
Brad C. Bennett Research Associate- Mark Yeager Lab University of Virginia Molecular Physiology and Biological Physics 320 Snyder Building 480 Ray C. Hunt Drive Charlottesville, VA 22908 Email: [email protected] Lab phone: 434-243-2520
participants (2)
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Brad C. Bennett
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Pavel Afonine