diff --git a/QMLS Code/Compare.py b/QMLS Code/Compare.py index 98be43b..9d2fd2d 100644 --- a/QMLS Code/Compare.py +++ b/QMLS Code/Compare.py @@ -1,6 +1,6 @@ # Import numpy for operation import numpy as np - + # Define a function to convert PDB files to numerical arrays def pdb_to_array(pdb_file): # Read the pdb file and extract the coordinates of the atoms