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Computational Crystallography Toolbox
https://cci.lbl.gov/docs/cctbx
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Reduce2 updates #982

Closed russell-taylor closed 3 months ago

russell-taylor commented 3 months ago

Makes Reduce2 use the same wrapping of Probe2 that Clashscore2 uses, which is much cleaner.

Factoring out argument construction in reduce_hydrogens.py so that it can be reused in reduce2.py.

russell-taylor commented 3 months ago

@bkpoon I'm going to ignore clutter failures that are in parts of the code that I did not change.