Update code/pdb_featureVector.py

code/pdb_featureVector.py

@@ -1377,6 +1377,8 @@ def pdb(input_set, mode, impute):
         modbase_only = None
         data['uniprotSequence'] = data['uniprotSequence'].str.replace('U', 'C')
         data['pdbSequence'] = data['pdbSequence'].str.replace('U', 'C')
+        st.write('HERE')
+        st.write(data)
         for i in data.index:
             id_ = data.at[i, 'pdbID'].lower()
             up_id_ = data.at[i, 'uniprotID']
@@ -1387,8 +1389,6 @@ def pdb(input_set, mode, impute):
                 pdb_path = Path(path_to_output_files / 'modbase_structures_individual' / f'{id_}.txt')
             elif data.at[i, 'source'] == 'SWISSMODEL':
                 pdb_path = Path(path_to_output_files / 'swissmodel_structures' / f'{up_id_}_{id_}_{score_}.txt')
-
-
             pdbSequence = data.at[i, 'pdbSequence']
             source = data.at[i, 'source']
             chain = data.at[i, 'chain']