Update code/pdb_featureVector.py

code/pdb_featureVector.py

@@ -239,10 +239,8 @@ def pdb(input_set, mode, impute):
             pdb_parser = PDBParser(QUIET=True)  # QUIET=True suppresses warnings
             pdb_file_content = StringIO(pdb_data)
             structure = pdb_parser.get_structure(search, pdb_file_content)
-            st.write(structure)
             ppb = PPBuilder()
             for model in structure:
-                st.write(model)
                 for pp in ppb.build_peptides(model):
                     sequence = pp.get_sequence()
                     st.write(sequence)
@@ -255,21 +253,22 @@ def pdb(input_set, mode, impute):
                     resolution = header.get('resolution', 'N/A')
                     # Print UniProt IDs, chain ID, and resolution for the current model
                     for i, chain in enumerate(model, start=1):
-                        chain_id = chain.get_id()
-                        st.write(f"---- Information for Chain {chain_id} in Model {i} ----")
-                        st.write(f"UniProt IDs: {', '.join(uniprot_ids)}")
-                        st.write(f"Chain ID: {chain_id}")
-                        st.write(f"PDB ID: {search.upper()}")
-                        st.write(f"Resolution: {resolution}")
-                        st.write(f"Sequence: {sequence}")
-                        pdb_fasta.at[index, 'pdbID'] = search
-                        pdb_fasta.at[index, 'chain'] = chain_id
-                        pdb_fasta.at[index, 'pdbSequence'] = str(sequence)
-                        pdb_info.at[index, 'uniprotID'] = ', '.join(uniprot_ids)
-                        pdb_info.at[index, 'pdbID'] = search
-                        pdb_info.at[index, 'chain'] = chain_id
-                        pdb_info.at[index, 'resolution'] = resolution
-                        index += 1
+                        if chain.dbxrefs == 'UNP:'
+                            chain_id = chain.get_id()
+                            st.write(f"---- Information for Chain {chain_id} in Model {i} ----")
+                            st.write(f"UniProt IDs: {', '.join(uniprot_ids)}")
+                            st.write(f"Chain ID: {chain_id}")
+                            st.write(f"PDB ID: {search.upper()}")
+                            st.write(f"Resolution: {resolution}")
+                            st.write(f"Sequence: {sequence}")
+                            pdb_fasta.at[index, 'pdbID'] = search
+                            pdb_fasta.at[index, 'chain'] = chain_id
+                            pdb_fasta.at[index, 'pdbSequence'] = str(sequence)
+                            pdb_info.at[index, 'uniprotID'] = ', '.join(uniprot_ids)
+                            pdb_info.at[index, 'pdbID'] = search
+                            pdb_info.at[index, 'chain'] = chain_id
+                            pdb_info.at[index, 'resolution'] = resolution
+                            index += 1
 
         print()
         st.write()