From 1faf43ba7f9fc24b7443b7dd88424fa06d8f4a21 Mon Sep 17 00:00:00 2001 From: Yifan Zhou Date: Fri, 7 Jun 2024 13:30:49 +0800 Subject: [PATCH] Update Compare.py --- QMLS Code/Compare.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) 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