Update code/modbaseModelAdd.py

code/modbaseModelAdd.py

@@ -68,6 +68,11 @@ def addModbaseModels(dataframe, path_to_input_files, path_to_output_files):
                                 include_hetatms=True,
                                 outdir=None, force_rerun=False, file_type='pdb')
                         filename = Path(path_to_output_files / 'freesasa_files' / f'{model_id.lower()}.txt')
+                        st.write('filename', filename)
+                        st.write('varPos', varPos)
+                        st.write('wt', wt)
+                        st.write('protein', protein)
+                        st.write('path_to_output_files', path_to_output_files)
                         dataframe.loc[i, 'sasa'] = sasa(protein, varPos, wt, 1, filename, path_to_output_files, file_type='pdb')
                         with open(path_to_output_files / 'modbase_structures_individual'/ f'{model_id}.txt', encoding="utf8") as m: