Update code/pdb_featureVector.py

code/pdb_featureVector.py

@@ -163,7 +163,7 @@ def pdb(input_set, mode, impute):
                             data.at[i, 'wt_sequence_match'] = 'i'
                             data.at[i, 'whichIsoform'] = whichIsoform
                             break
-        st.write('UNIPROT DF')
+        st.write('MATCHING UNIPTOR')
         st.write(data)
         data.wt_sequence_match = data.wt_sequence_match.astype('str')
         data.replace({'': 'nan'}, inplace=True)
@@ -441,7 +441,11 @@ def pdb(input_set, mode, impute):
         aligned_m = final_stage(dfM, annotation_list, Path(path_to_output_files / 'alignment_files'))
         aligned_nm = final_stage(dfNM, annotation_list, Path(path_to_output_files / 'alignment_files'))
         
-
+        st.write('aligned_m')
+        st.write(aligned_m)
+        st.write('aligned_nm')
+        st.write(aligned_nm)
+        
         
         # When PDB sequence is nan, it is wrongly aligned to the UniProt sequence. Fix them.
         for i in aligned_m.index:
@@ -483,6 +487,7 @@ def pdb(input_set, mode, impute):
         yes_pdb_no_match = after_up_pdb_alignment[
             (after_up_pdb_alignment.pdbID != 'nan') & (after_up_pdb_alignment.mutationPositionOnPDB == 'nan')]
         no_pdb = no_pdb.copy()
+        st.write('-----PDB ALIGNED-----')
         st.write(pdb_aligned)
         print('PDB matching is completed...\n')
         print('SUMMARY')
@@ -1416,6 +1421,7 @@ def pdb(input_set, mode, impute):
             st.write(chain)
             st.write(uniprotID)
             st.write(pdbID)
+            st.write(uniprotID)
             st.write('INputs')
             st.write(uniprotID, pdbSequence, source, chain, pdbID, mode                                            )