[phenixbb] Specify particular columns from data files on the command line

Brad C. Bennett bcb3b at cms.mail.virginia.edu
Fri Nov 30 11:52:53 PST 2012


That worked!

Thanks Pavel-
Brad

On Fri, 30 Nov 2012 11:41:28 -0800
 Pavel Afonine <pafonine at lbl.gov> wrote:
>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: bcb3b at virginia.edu
>> Lab phone: 434-243-2520
>> _______________________________________________
>> phenixbb mailing list
>> phenixbb at phenix-online.org
>> http://phenix-online.org/mailman/listinfo/phenixbb
>
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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: bcb3b at virginia.edu
Lab phone: 434-243-2520


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