oucgc1996 commited on
Commit
aa65afc
·
verified ·
1 Parent(s): 4f9d04c

Update app.py

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Files changed (1) hide show
  1. app.py +1 -3
app.py CHANGED
@@ -182,15 +182,13 @@ def pdb_structure(Structure_index):
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  created_folders = []
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  SurfacePoitCloud_all = []
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  for index in Structure_index:
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- structure_folder = join(temp_path, str(index))
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  created_folders.append(structure_folder)
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  pdb_file = join(pdb_path, f"{index}.pdb")
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- print(pdb_file)
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  if os.path.exists(pdb_file):
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  shutil.copy2(pdb_file, structure_folder)
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  else:
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  print(f"PDB file not found for structure {index}")
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- print(structure_folder)
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  coords, atname, pdbname, pdb_num = utils.parsePDB(structure_folder)
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  atoms_channel = utils.atomlistToChannels(atname)
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  radius = utils.atomlistToRadius(atname)
 
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  created_folders = []
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  SurfacePoitCloud_all = []
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  for index in Structure_index:
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+ structure_folder = join(temp_path, str(index)+".pdb")
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  created_folders.append(structure_folder)
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  pdb_file = join(pdb_path, f"{index}.pdb")
 
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  if os.path.exists(pdb_file):
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  shutil.copy2(pdb_file, structure_folder)
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  else:
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  print(f"PDB file not found for structure {index}")
 
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  coords, atname, pdbname, pdb_num = utils.parsePDB(structure_folder)
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  atoms_channel = utils.atomlistToChannels(atname)
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  radius = utils.atomlistToRadius(atname)