Update code/pdb_featureVector.py

code/pdb_featureVector.py

@@ -1391,26 +1391,19 @@ def pdb(input_set, mode, impute):
             elif data.at[i, 'source'] == 'SWISSMODEL':
                 pdb_path = Path(path_to_output_files / 'swissmodel_structures' / f'{up_id_}_{id_}_{score_}.txt')
             pdbSequence = data.at[i, 'pdbSequence']
-            st.write('pdb', pdbSequence)
-            source = data.at[i, 'source']
-            st.write('source', source)
-            chain = data.at[i, 'chain']
-            st.write('chain', chain)
-            uniprotID = data.at[i, 'uniprotID']
-            st.write('uniprotID', uniprotID)
-            pdbID = data.at[i, 'pdbID']
-            st.write('pdbID', pdbID)
+            
             st.write(uniprotID)
             st.write(pdb_path)
             st.write(pdbSequence)
-            
             st.write(source)
             st.write(chain)
             st.write(pdbID)
             st.write(mode)
             st.write(Path(path_to_output_files / '3D_alignment'))
-            alignments = get_alignments_3D(uniprotID, 'nan', pdb_path, pdbSequence, source, chain, pdbID, mode, Path(path_to_output_files / '3D_alignment'), file_format = 'gzip')
+            x = pr()
 
+            st.write(x)
+            alignments = get_alignments_3D(uniprotID, 'nan', pdb_path, pdbSequence, source, chain, pdbID, mode, Path(path_to_output_files / '3D_alignment'), file_format = 'gzip')
             mutPos = data.at[i, 'mutationPositionOnPDB']
             try:
                 coordMut = get_coords(mutPos, alignments, 'nan', 'nan', mode)[0]