Update code/pdb_featureVector.py

code/pdb_featureVector.py

@@ -171,7 +171,9 @@ def pdb(input_set, mode, impute):
         uniprot_matched = data[(data.uniprotSequence != 'nan') & (data.wt_sequence_match != 'nan')]
 
 
-        
+        for dp in data.index:
+            if (data.iloc[dp, 'wt_sequence_match'] == 'nan') & (data.iloc[dp, 'whichIsoform'] == 'nan'):
+                st.write(f'Wrong input aminoacid for datapoint: {data.iloc[dp, 'datapoint']}')
         data = None
 
         print('You have %d data points that failed to match a UniProt Sequence\nProceeding with %d remaining...\n'
@@ -487,9 +489,6 @@ def pdb(input_set, mode, impute):
         print('--%d will be searched in Swiss-Model database.\n' % (
                 len(yes_pdb_no_match.drop_duplicates(['datapoint'])) + len(no_pdb.drop_duplicates(['datapoint']))))
 
-        if (len(dfM) == 0) & (len(dfNM) == 0):
-            st.write('Please check the input aminoacid at the selected position. ASCARIS could not match it to canonical or isoform sequences.')
-
         dfM = None
         dfNM = None
         aligned_nm = None