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Don't shift the coordinates when doing box and shift for Reduce2 (#1012)
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russell-taylor authored Sep 10, 2024
1 parent 75b6f41 commit 6927c85
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion mmtbx/programs/reduce2.py
Original file line number Diff line number Diff line change
Expand Up @@ -1188,7 +1188,7 @@ def run(self):
# @todo reduce_hydrogens.py:run() says: TODO temporary fix until the code is moved to model class
cs = self.model.crystal_symmetry()
if (cs is None) or (cs.unit_cell() is None):
self.model = shift_and_box_model(model = self.model)
self.model = shift_and_box_model(model = self.model, shift_model=False)

# If we've been asked to only to a single model index from the file, strip the model down to
# only that index.
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