fatmacankara commited on
Commit
31914fa
·
1 Parent(s): 711987a

Update code/pdb_featureVector.py

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Files changed (1) hide show
  1. code/pdb_featureVector.py +2 -2
code/pdb_featureVector.py CHANGED
@@ -1394,8 +1394,8 @@ def pdb(input_set, mode, impute):
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  pdbID = data.at[i, 'pdbID']
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  print('Das ist pdb seq')
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  print(pdbSequence)
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- alignments = get_alignments_3D(uniprotID, 'nan', pdbSequence, source, chain, pdbID, mode,
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- file_format='gzip')
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  mutPos = data.at[i, 'mutationPositionOnPDB']
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  try:
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  coordMut = get_coords(mutPos, alignments, 'nan', 'nan', mode)[0]
 
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  pdbID = data.at[i, 'pdbID']
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  print('Das ist pdb seq')
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  print(pdbSequence)
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+
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+ alignments = get_alignments_3D(uniprotID, 'nan', pdb_path, pdbSequence, source, chain, pdbID, mode, Path(path_to_output_files / '3D_alignment'), file_format = 'gzip')
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  mutPos = data.at[i, 'mutationPositionOnPDB']
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  try:
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  coordMut = get_coords(mutPos, alignments, 'nan', 'nan', mode)[0]