Update code/pdb_featureVector.py

code/pdb_featureVector.py

@@ -1329,7 +1329,6 @@ def pdb(input_set, mode, impute):
         existing_free_sasa = [str(i) for i in existing_free_sasa]
         existing_free_sasa = [i.split('/')[-1].split('.')[0] for i in existing_free_sasa]
         print('Calculation RSA for PDB Structure Files...\n')
-        st.write('first')
         st.write(existing_free_sasa)
         pdb_only = data[data.source == 'PDB']
 
@@ -1364,11 +1363,13 @@ def pdb(input_set, mode, impute):
                               outdir=None, force_rerun=False, file_type='pdb'))
 
         # This annotation list is different than the prev one, keep it.
-
+        existing_free_sasa = list(Path(path_to_output_files / 'freesasa_files').glob("*"))
+        existing_free_sasa = [str(i) for i in existing_free_sasa]
+        existing_free_sasa = [i.split('/')[-1].split('.')[0] for i in existing_free_sasa]
+        st.write(existing_free_sasa)
         annotation_list += ['domainStartonPDB', 'domainEndonPDB']
 
         folder_path = path_to_output_files / 'freesasa_files'
-        st.write('folder_path', folder_path)
         aligner = Align.PairwiseAligner()
         print('Proceeding to 3D distance calculation...\n')
         data.domainEndonPDB = data.domainEndonPDB.astype(str)