Spaces:
Sleeping
Sleeping
Commit
·
92c4960
1
Parent(s):
82c7719
Update code/add_alignment.py
Browse files- code/add_alignment.py +3 -5
code/add_alignment.py
CHANGED
|
@@ -341,10 +341,7 @@ def final_stage(df, annotation_list, alignment_path):
|
|
| 341 |
print('i',identifier)
|
| 342 |
alignment_list = do_alignment(identifier, df.at[i, 'uniprotSequence'], df.at[i, 'pdbSequence'], alignment_path)
|
| 343 |
df.at[i, 'pdb_alignStatus'] = mutation_position_on_pdb(alignment_list, df.at[i, 'pos'])[0]
|
| 344 |
-
|
| 345 |
-
print('df',df)
|
| 346 |
-
df.at[i, 'mutationPositionOnPDB'] = mutation_position_on_pdb(alignment_list, df.at[i, 'pos'])[1]
|
| 347 |
-
print('df',df)
|
| 348 |
startGap = mutation_position_on_pdb(alignment_list, df.at[i, 'pos'])[2]
|
| 349 |
alignment_to_use = mutation_position_on_pdb(alignment_list, df.at[i, 'pos'])[3]
|
| 350 |
for annot in annotation_list:
|
|
@@ -360,7 +357,8 @@ def final_stage(df, annotation_list, alignment_path):
|
|
| 360 |
str(df.at[i, 'domStart']) != '-1.0' or str(df.at[i, 'domEnd']) != '-1.0':
|
| 361 |
df.at[i, 'domainStartonPDB'] = 'nan'
|
| 362 |
df.at[i, 'domainEndonPDB'] = 'nan'
|
| 363 |
-
print('
|
|
|
|
| 364 |
return df
|
| 365 |
|
| 366 |
def alignment(dataframe_to_align, annotation_list, alignment_path):
|
|
|
|
| 341 |
print('i',identifier)
|
| 342 |
alignment_list = do_alignment(identifier, df.at[i, 'uniprotSequence'], df.at[i, 'pdbSequence'], alignment_path)
|
| 343 |
df.at[i, 'pdb_alignStatus'] = mutation_position_on_pdb(alignment_list, df.at[i, 'pos'])[0]
|
| 344 |
+
df.at[i, 'mutationPositionOnPDB'] = mutation_position_on_pdb(alignment_list, df.at[i, 'pos'])[1]
|
|
|
|
|
|
|
|
|
|
| 345 |
startGap = mutation_position_on_pdb(alignment_list, df.at[i, 'pos'])[2]
|
| 346 |
alignment_to_use = mutation_position_on_pdb(alignment_list, df.at[i, 'pos'])[3]
|
| 347 |
for annot in annotation_list:
|
|
|
|
| 357 |
str(df.at[i, 'domStart']) != '-1.0' or str(df.at[i, 'domEnd']) != '-1.0':
|
| 358 |
df.at[i, 'domainStartonPDB'] = 'nan'
|
| 359 |
df.at[i, 'domainEndonPDB'] = 'nan'
|
| 360 |
+
print('Final Stage')
|
| 361 |
+
print(df)
|
| 362 |
return df
|
| 363 |
|
| 364 |
def alignment(dataframe_to_align, annotation_list, alignment_path):
|