nelse003 / exhaustive_search

Testing exhaustive search algorithms for crystallographic occupancy refinement and surrounding problems
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Remove dependenxy on pheinx.maps & phenix.fmodel #77

Closed nelse003 closed 6 years ago

nelse003 commented 6 years ago

phenix.fmodel and phenix.maps scripts are fully available in cctbx:

cctbx_project/mmtbx/command_line/fmodel.py cctbx_project/mmtbx/command_line/maps.py

and have zero dependencies from Phenix closed-source repository. You can just call them with cctbx-aware python in your software. ############################################################## Also, to run those files from the command-line, you would have something like,

libtbx.python /mmtbx/command_line/fmodel.py

The libtbx.python will call python with the proper environment to be cctbx-aware.