@@ -921,10 +921,10 @@ def _setLig1ProteinDisplacement(self):
921921 """
922922 # find the ligand atoms that define its center of mass
923923 lig1 = self ._system [self ._ligand_bound_index ]
924- lig1_com_coords = lig1 ._sire_object .atoms ()[* self ._lig1_com_atoms ].coordinates ()
924+ lig1_com_coords = lig1 ._sire_object .atoms ()[self ._lig1_com_atoms ].coordinates ()
925925 # protein com coords (assumes that the first index in protein_index is representative of the whole protein)
926926 prot = self ._system [self .protein_index [0 ]]
927- prot_com_coords = prot ._sire_object .atoms ()[* self ._mol1_com_atoms ].coordinates ()
927+ prot_com_coords = prot ._sire_object .atoms ()[self ._mol1_com_atoms ].coordinates ()
928928 self ._lig1_protein_displacement = self ._find_separation (
929929 prot_com_coords , lig1_com_coords
930930 )
@@ -947,10 +947,10 @@ def _setLig2ProteinDisplacement(self):
947947 """
948948 # find the ligand atoms that define its center of mass
949949 lig2 = self ._system [self ._ligand_free_index ]
950- lig2_com_coords = lig2 ._sire_object .atoms ()[* self ._lig2_com_atoms ].coordinates ()
950+ lig2_com_coords = lig2 ._sire_object .atoms ()[self ._lig2_com_atoms ].coordinates ()
951951 # protein com coords (assumes that the first index in protein_index is representative of the whole protein)
952952 prot = self ._system [self .protein_index [0 ]]
953- prot_com_coords = prot ._sire_object .atoms ()[* self ._mol1_com_atoms ].coordinates ()
953+ prot_com_coords = prot ._sire_object .atoms ()[self ._mol1_com_atoms ].coordinates ()
954954 self ._lig2_protein_displacement = self ._find_separation (
955955 prot_com_coords , lig2_com_coords
956956 )
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