Update code/pdb_featureVector.py

code/pdb_featureVector.py

@@ -257,22 +257,22 @@ def pdb(input_set, mode, impute):
                     header = structure.header
                     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
+                    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
 
         print()
         st.write()