From f53f517c998e91842bc525954101020a19c232da Mon Sep 17 00:00:00 2001 From: Ruben Sanchez Garcia Date: Wed, 9 Dec 2020 16:59:38 +0000 Subject: [PATCH] bug fixed: atom.GetAtomWithIdx --- fragmenstein/monster/__init__.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/fragmenstein/monster/__init__.py b/fragmenstein/monster/__init__.py index 7970c06..7d5f6d0 100644 --- a/fragmenstein/monster/__init__.py +++ b/fragmenstein/monster/__init__.py @@ -537,7 +537,7 @@ def place_followup(self, mol: Chem.Mol = None, atom_map: Optional[Dict] = None) c_atom = self.chimera.GetAtomWithIdx(ci) if c_atom.HasProp('_Stdev'): stdev = c_atom.GetDoubleProp('_Stdev') - origin = c_atom.GetAtomWithIdx(ci).GetProp('_Origin') + origin = c_atom.GetProp('_Origin') p_atom.SetDoubleProp('_Stdev', stdev) p_atom.SetProp('_Origin', origin) pconf.SetAtomPosition(i, chimera_conf.GetAtomPosition(ci))