Spaces:
Running
Running
Commit
·
5fff1b6
1
Parent(s):
b33353a
Update code/pdb_featureVector.py
Browse files
code/pdb_featureVector.py
CHANGED
@@ -171,10 +171,7 @@ def pdb(input_set, mode, impute):
|
|
171 |
data_size = len(data.drop_duplicates(['datapoint']))
|
172 |
not_match_in_uniprot = data[(data.uniprotSequence == 'nan') | (data.wt_sequence_match == 'nan')]
|
173 |
uniprot_matched = data[(data.uniprotSequence != 'nan') & (data.wt_sequence_match != 'nan')]
|
174 |
-
|
175 |
-
st.write(not_match_in_uniprot)
|
176 |
-
if (len(uniprot_matched) == 0) & (len(not_match_in_uniprot) == 0):
|
177 |
-
st.write('Please check the input aminoacid at the selected position.')
|
178 |
|
179 |
|
180 |
data = None
|
@@ -493,9 +490,10 @@ def pdb(input_set, mode, impute):
|
|
493 |
print('--PDB structures not found for %d datapoints.' % len(no_pdb.drop_duplicates(['datapoint'])))
|
494 |
print('--%d will be searched in Swiss-Model database.\n' % (
|
495 |
len(yes_pdb_no_match.drop_duplicates(['datapoint'])) + len(no_pdb.drop_duplicates(['datapoint']))))
|
496 |
-
|
497 |
-
|
498 |
-
|
|
|
499 |
dfM = None
|
500 |
dfNM = None
|
501 |
aligned_nm = None
|
|
|
171 |
data_size = len(data.drop_duplicates(['datapoint']))
|
172 |
not_match_in_uniprot = data[(data.uniprotSequence == 'nan') | (data.wt_sequence_match == 'nan')]
|
173 |
uniprot_matched = data[(data.uniprotSequence != 'nan') & (data.wt_sequence_match != 'nan')]
|
174 |
+
|
|
|
|
|
|
|
175 |
|
176 |
|
177 |
data = None
|
|
|
490 |
print('--PDB structures not found for %d datapoints.' % len(no_pdb.drop_duplicates(['datapoint'])))
|
491 |
print('--%d will be searched in Swiss-Model database.\n' % (
|
492 |
len(yes_pdb_no_match.drop_duplicates(['datapoint'])) + len(no_pdb.drop_duplicates(['datapoint']))))
|
493 |
+
|
494 |
+
if (len(dfM) == 0) & (len(dfNM) == 0):
|
495 |
+
st.write('Please check the input aminoacid at the selected position.')
|
496 |
+
|
497 |
dfM = None
|
498 |
dfNM = None
|
499 |
aligned_nm = None
|