Enable from PDB id

main.py

@@ -66,10 +66,7 @@ def get_offset(pdb):
 
 
 def predict(pdb_code, pdb_file):
-    #path_to_pdb = get_pdb(pdb_code=pdb_code, filepath=pdb_file)
-
-    #pdb = open(path_to_pdb, "r").read()
-    # switch to misato env if not running from container
+    path_to_pdb = get_pdb(pdb_code=pdb_code, filepath=pdb_file)
     mdh5_file = "inference_for_md.hdf5"
     md_H5File = h5py.File(mdh5_file)
 
@@ -102,7 +99,7 @@ def predict(pdb_code, pdb_file):
     topN = 100
     topN_ind = np.argsort(adaptability)[::-1][:topN]    
 
-    pdb = open(pdb_file.name, "r").read()
+    pdb = open(path_to_pdb, "r").read()
 
     view = py3Dmol.view(width=600, height=400)
     view.setBackgroundColor('white')