Update code/pdb_featureVector.py

code/pdb_featureVector.py

@@ -1397,6 +1397,7 @@ def pdb(input_set, mode, impute):
             id_ = data.at[i, 'pdbID'].lower()
             up_id_ = data.at[i, 'uniprotID']
             score_ = str(data.at[i, 'score'])
+            st.write(id_, up_id_, score_)
             """
             if data.at[i, 'source'] == 'PDB':
                 pdb_path = Path(path_to_output_files / 'pdb_structures' / f'{id_}.pdb')
@@ -1410,6 +1411,14 @@ def pdb(input_set, mode, impute):
             chain = data.at[i, 'chain']
             uniprotID = data.at[i, 'uniprotID']
             pdbID = data.at[i, 'pdbID']
+            st.write(pdbSequence)
+            st.write(source)
+            st.write(chain)
+            st.write(uniprotID)
+            st.write(pdbID)
+            st.write('INputs')
+            st.write(uniprotID, pdbSequence, source, chain, pdbID, mode                                            )
+            
             alignments = get_alignments_3D(uniprotID, 'nan', pdbSequence, source, chain, pdbID, mode,
                                             file_format='gzip')
             mutPos = data.at[i, 'mutationPositionOnPDB']