Update code/pdb_featureVector.py

code/pdb_featureVector.py

@@ -289,10 +289,10 @@ def pdb(input_set, mode, impute):
                         pdb_info.at[index, 'resolution'] = resolution
                         index += 1
 
-        print('PDB INFO')
-        print(pdb_info.to_string())
-        print('PDB FASTA')
-        print(pdb_fasta.to_string())
+        st.write('PDB INFO')
+        st.write(pdb_info)
+        st.write('PDB FASTA')
+        st.write(pdb_fasta)
         print('PDB file processing finished..')
         for filename in list(Path(path_to_output_files / 'pdb_structures').glob("*")):
             try:
@@ -308,14 +308,15 @@ def pdb(input_set, mode, impute):
                     filename.rename(filename_replace_ext.with_suffix('.pdb'))
             except:
                 FileNotFoundError
-
+        st.write('uniprot_matched before')
+        st.write(uniprot_matched)
         uniprot_matched = pd.merge(uniprot_matched, pdb_info, on='uniprotID', how='left')
         uniprot_matched = uniprot_matched.astype(str)
         uniprot_matched = uniprot_matched.drop_duplicates()
         uniprot_matched = uniprot_matched.merge(pdb_fasta, on=['pdbID', 'chain'], how='left')
         uniprot_matched = uniprot_matched.astype(str)
-        print('UNIPTIR MA')
-        print(uniprot_matched)
+        st.write('uniprot_matched after')
+        st.write(uniprot_matched)
         with_pdb = uniprot_matched[(uniprot_matched.pdbID != 'nan') & (
                 (uniprot_matched.resolution != 'nan') & (uniprot_matched.resolution != 'OT') & (
                 uniprot_matched.resolution != 'None'))].drop_duplicates()