diff --git a/modules/mol/alg/pymod/structure_analysis.py b/modules/mol/alg/pymod/structure_analysis.py index 7cb7644d497af8a3210e2c62daa00bbed64328af..b0ce1dcbf187e612dc7172cba24dd2a24dfe2184 100644 --- a/modules/mol/alg/pymod/structure_analysis.py +++ b/modules/mol/alg/pymod/structure_analysis.py @@ -135,7 +135,7 @@ def CalculateDistanceDifferenceMatrix(sele1,sele2): This function calculates the pairwise distance differences between two EntityViews. The two EntityViews should have the same number of atoms It returns an NxN DistanceDifferenceMatrix M (where N is the number of atoms in sele1) - where M[i,j]=(sele2.atoms[i].pos-sele2.atoms[j].pos)-(sele1.atoms[i].pos-sele1.atoms[j].pos) + where M[i,j]=|sele2.atoms[i].pos-sele2.atoms[j].pos|-|sele1.atoms[i].pos-sele1.atoms[j].pos| """ try:import numpy as npy except ImportError: