[phenixbb] Command to call/read external file when running phenix.refine from
PAfonine at lbl.gov
Fri Oct 23 07:52:47 PDT 2009
you can have something like this:
phenix.refine model.pdb data.mtz my_params_1 my_params_2 my_params_3
so, you can give phenix.refine multiple parameter files at input and
internally it will combine them all. For example my_params_1 can contain
your TLS definitions, my_params_2 contains NCS groups, etc.
On 10/23/09 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?
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