From 775e6dab72d22e0d954fa40723c73655f2134a21 Mon Sep 17 00:00:00 2001 From: Pavel Date: Mon, 16 Dec 2024 11:42:16 -0800 Subject: [PATCH] bug fix in ion placement --- mmtbx/ions/build.py | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/mmtbx/ions/build.py b/mmtbx/ions/build.py index 9276a52517..30285caacd 100644 --- a/mmtbx/ions/build.py +++ b/mmtbx/ions/build.py @@ -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()