Update code/pdb_featureVector.py

code/pdb_featureVector.py

@@ -250,9 +250,7 @@ def pdb(input_set, mode, impute):
                     seqs[i[2]]  = i[4:]
 
             for key, val in seqs.items():
-                seqs[key] = ''.join([threeToOne(i) for i in val])
-            st.write('SEQUENCE PDB')
-            st.write(seqs)
+                seqs[key] = ''.join([threeToOne(i) for i in val]
             pdb_data_list = [i for i in pdb_data_list if i.startswith('DBREF')]
             pdb_data_list = [[list(filter(None,i.split(' '))) for j in i.split(' ') if j == 'UNP'] for i in pdb_data_list]
             pdb_data_list = [i for i in pdb_data_list if i != []]
@@ -1407,13 +1405,10 @@ def pdb(input_set, mode, impute):
                 pdb_path = Path(path_to_output_files / 'swissmodel_structures' / f'{up_id_}_{id_}_{score_}.txt')
 
             pdbSequence = data.at[i, 'pdbSequence']
-            st.write('pdbSequence on 3D part')
-            st.write(pdbSequence)
             source = data.at[i, 'source']
             chain = data.at[i, 'chain']
             uniprotID = data.at[i, 'uniprotID']
             pdbID = data.at[i, 'pdbID']
-            st.write('So far so good!!!!!')
             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']