oucgc1996 commited on
Commit
8555823
1 Parent(s): 5ef7f88

Update app.py

Browse files
Files changed (1) hide show
  1. app.py +5 -5
app.py CHANGED
@@ -57,21 +57,21 @@ def pyuul(folder,n_clusters):
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  pairs = zip(pdbname, y)
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  result_dict = {key: value for key, value in pairs}
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- ligend_class = result_dict['ligand.pdb']
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  sheet = []
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  for key, value in result_dict.items():
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- if value == ligend_class:
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  sheet.append(key)
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  return sheet
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- def kmeans(ligend,n_clusters,n_num):
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  azip = zipfile.ZipFile("peptides.zip")
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  azip.extractall()
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  peptide_folder_path = pathlib.Path(__file__).parent.joinpath("peptides" )
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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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  n_clusters = int(n_clusters)
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  for i in range(1,n_num+1):
 
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  pairs = zip(pdbname, y)
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  result_dict = {key: value for key, value in pairs}
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+ ligand_class = result_dict['ligand.pdb']
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  sheet = []
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  for key, value in result_dict.items():
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+ if value == ligand_class:
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  sheet.append(key)
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  return sheet
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+ def kmeans(ligand,n_clusters,n_num):
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  azip = zipfile.ZipFile("peptides.zip")
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  azip.extractall()
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  peptide_folder_path = pathlib.Path(__file__).parent.joinpath("peptides" )
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  pdb_folder = pathlib.Path(__file__).parent.joinpath("temp")
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+ ligand_path = ligend.name
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+ shutil.copy(ligand_path,pdb_folder)
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  n_num = int(n_num)
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  n_clusters = int(n_clusters)
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  for i in range(1,n_num+1):