diff --git a/modules/mol/alg/pymod/structure_analysis.py b/modules/mol/alg/pymod/structure_analysis.py index b0ce1dcbf187e612dc7172cba24dd2a24dfe2184..2a9dda6fcee74c1a12ff5670abb838c864351762 100644 --- a/modules/mol/alg/pymod/structure_analysis.py +++ b/modules/mol/alg/pymod/structure_analysis.py @@ -150,7 +150,7 @@ def CalculateDistanceDifferenceMatrix(sele1,sele2): n_atoms=sele1.GetAtomCount() M=npy.zeros([n_atoms,n_atoms]) for i,a1 in enumerate(sele1.atoms): - for j,a2 in enumerate(sele2.atoms): + for j,a2 in enumerate(sele1.atoms): if i>=j:continue d1=ost.geom.Distance(a1.pos,a2.pos) d2=ost.geom.Distance(sele2.atoms[i].pos,sele2.atoms[j].pos)