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Doc for the new function.
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olegsobolev committed Sep 17, 2024
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3 changes: 3 additions & 0 deletions mmtbx/model/model.py
Original file line number Diff line number Diff line change
Expand Up @@ -1093,6 +1093,9 @@ def altlocs_present(self):
return self.get_hierarchy().altlocs_present()

def altlocs_present_only_hd(self):
""" True when model has H/D exchangeable sites and does not have
other alternative conformations. False otherwise.
"""
noh_selection = self.selection("not (element H or element D)")
hierarchy_no_hd = self.get_hierarchy().select(noh_selection)
altlocs = hierarchy_no_hd.altlocs_present()
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