Update code/pdb_featureVector.py

code/pdb_featureVector.py

@@ -1385,20 +1385,15 @@ def pdb(input_set, mode, impute):
             id_ = data.at[i, 'pdbID'].lower()
             up_id_ = data.at[i, 'uniprotID']
             score_ = str(data.at[i, 'score'])
-            """
-            if data.at[i, 'source'] == 'PDB':
-                pdb_path = Path(path_to_output_files / 'pdb_structures' / f'{id_}.pdb')
-            elif data.at[i, 'source'] == 'MODBASE':
-                pdb_path = Path(path_to_output_files / 'modbase_structures_individual' / f'{id_}.txt')
-            elif data.at[i, 'source'] == 'SWISSMODEL':
-                pdb_path = Path(path_to_output_files / 'swissmodel_structures' / f'{up_id_}_{id_}_{score_}.txt')
-            """
+            print('I am here. Whats wrong?')
+
             pdbSequence = data.at[i, 'pdbSequence']
             source = data.at[i, 'source']
             chain = data.at[i, 'chain']
             uniprotID = data.at[i, 'uniprotID']
             pdbID = data.at[i, 'pdbID']
-    
+            print('Das ist pdb seq')
+            print(pdbSequence)
             alignments = get_alignments_3D(uniprotID, 'nan', pdbSequence, source, chain, pdbID, mode,
                                             file_format='gzip')
             mutPos = data.at[i, 'mutationPositionOnPDB']