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bug fix in ion placement
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pafonine committed Dec 16, 2024
1 parent c312cdb commit 775e6da
Showing 1 changed file with 2 additions and 1 deletion.
3 changes: 2 additions & 1 deletion mmtbx/ions/build.py
Original file line number Diff line number Diff line change
Expand Up @@ -369,7 +369,8 @@ def clean_up_ions(fmodel, model, params, log=None, verbose=True):
segids=[ "ION" for atom in ion_atoms ],
refine_occupancies=params.refine_ion_occupancies,
refine_adp="isotropic",
reset_labels=True)
reset_labels=True,
conformer_indices=None)
n_sites_end = new_model.get_number_of_atoms()
new_hierarchy = new_model.get_hierarchy()
n_sites_pdb = new_hierarchy.atoms_size()
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