[phenixbb] Command to call/read external file when runningphenix.refine from
Ashley Pike
Ashley.Pike at sgc.ox.ac.uk
Fri Oct 23 06:48:49 PDT 2009
Yeah that works although not as elegant.....
>>> Nathaniel Echols <NEchols at lbl.gov> 23/10/2009 14:37 >>>
On Oct 23, 2009, at 6:31 AM, Ashley Pike wrote:
> I am running phenix.refine(v.1.5.2) from the command line using a
> batch file containing all my customised options ie. phenix.refine
> my_parameters. From this batch file (my_parameters) I also want to
> include additional geometric and NCS restraints. Rather than have
> them clutter things up, I want to call/invoke them from an external
> file instead. I had been told that this is possible using the
> command 'include file <filename>' but it seems that this is not
> doing what I had hoped. When run in this way phenix.refine doesn't
> complain but is not using the restraints. Needless to say everything
> is fine when I actually include the information directly in the
> batch file. Any hints what I am doing wrong?
What happens when you simply pass all of the parameter files as
command-line arguments? It should parse all of them and combine the
settings.
--------------------
Nathaniel Echols
Lawrence Berkeley Lab
510-486-5136
NEchols at lbl.gov
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