nelse003 / exhaustive_search

Testing exhaustive search algorithms for crystallographic occupancy refinement and surrounding problems
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Parameter handling using master phil #9

Closed nelse003 closed 6 years ago

nelse003 commented 6 years ago

Currently when parameters are needed in the current file, they are explicitly sources using:

process_refined_pdb_bound_ground_states(pdb, params=master_phil.extract())

Check whether there is a better way to do this?

nelse003 commented 6 years ago

Look at:

restraints { output { include scope giant.jiffies.make_restraints.output_phil } include scope giant.jiffies.make_restraints.options_phil

in pandda.quick_refine

nelse003 commented 6 years ago

Not explicitly sourced anymore