Update code/pdb_featureVector.py

code/pdb_featureVector.py

@@ -1378,8 +1378,9 @@ def pdb(input_set, mode, impute):
         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:
+            st.write('i',i)
+            st.write(data.at[i, 'source'])
             id_ = data.at[i, 'pdbID'].lower()
             up_id_ = data.at[i, 'uniprotID']
             score_ = str(data.at[i, 'score'])
@@ -1390,10 +1391,15 @@ def pdb(input_set, mode, impute):
             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']
+            st.write('pdb', pdbSequence)
             source = data.at[i, 'source']
+            st.write('source', source)
             chain = data.at[i, 'chain']
+            st.write('chain', chain)
             uniprotID = data.at[i, 'uniprotID']
+            st.write('uniprotID', uniprotID)
             pdbID = data.at[i, 'pdbID']
+            st.write('pdbID', pdbID)
             st.write(identifier)
             st.write(model_num)
             st.write(pdb_path)