diff --git a/modules/mol/alg/tests/test_ligand_scoring.py b/modules/mol/alg/tests/test_ligand_scoring.py index f61fd88f1fe5f0c79946eafa31fa89f605b996e3..354a41e1f50f68826ec2bfcc78a5c53df9b623e9 100644 --- a/modules/mol/alg/tests/test_ligand_scoring.py +++ b/modules/mol/alg/tests/test_ligand_scoring.py @@ -513,9 +513,9 @@ class TestLigandScoring(unittest.TestCase): # Add 3 MG in model: assignment/stoichiometry mg_pos = [ - mdl.geometric_center, - mdl.geometric_center + 1, - mdl.geometric_center + 100 + geom.Vec3(3.871, 12.343, 44.485), + geom.Vec3(3.871, 12.343, 44.485) + 1, + geom.Vec3(3.871, 12.343, 44.485) + 100 ] for i in range(3): new_chain = mdl_ed.InsertChain("L_MG_%d" % i)