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Update Compare.py
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yifan1207 committed Jun 7, 2024
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2 changes: 1 addition & 1 deletion QMLS Code/Compare.py
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# 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
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