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Update app.py
Browse files
app.py
CHANGED
@@ -68,6 +68,7 @@ def kmeans(ligend,n_clusters,n_num):
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pdb_folder = pathlib.Path(__file__).parent.joinpath("temp")
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ligend_path = ligend.name
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shutil.copy(ligend_path,pdb_folder)
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for i in range(1,n_num+1):
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if i == 1:
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add_file_to_folder(peptide_folder_path,pdb_folder)
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pdb_folder = pathlib.Path(__file__).parent.joinpath("temp")
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ligend_path = ligend.name
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shutil.copy(ligend_path,pdb_folder)
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+
n_num = int(n_num)
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for i in range(1,n_num+1):
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if i == 1:
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add_file_to_folder(peptide_folder_path,pdb_folder)
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