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 [email protected]