fatmacankara commited on
Commit
92c4960
·
1 Parent(s): 82c7719

Update code/add_alignment.py

Browse files
Files changed (1) hide show
  1. 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('df_fin',df)
 
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):