fatmacankara commited on
Commit
ab1d2d6
·
1 Parent(s): 4b25e7e

Update code/pdb_featureVector.py

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  1. code/pdb_featureVector.py +2 -11
code/pdb_featureVector.py CHANGED
@@ -1392,24 +1392,15 @@ def pdb(input_set, mode, impute):
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  elif data.at[i, 'source'] == 'SWISSMODEL':
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  pdb_path = Path(path_to_output_files / 'swissmodel_structures' / f'{up_id_}_{id_}_{score_}.txt')
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- print('I am here. Whats wrong?')
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  pdbSequence = data.at[i, 'pdbSequence']
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  source = data.at[i, 'source']
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  chain = data.at[i, 'chain']
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  uniprotID = data.at[i, 'uniprotID']
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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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- print(uniprotID)
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- print(pdb_path)
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- print(source)
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- print(chain)
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- print(pdbID)
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- print(mode)
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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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- print('ALIGNMENTS')
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- print(alignments)
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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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  elif data.at[i, 'source'] == 'SWISSMODEL':
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  pdb_path = Path(path_to_output_files / 'swissmodel_structures' / f'{up_id_}_{id_}_{score_}.txt')
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  pdbSequence = data.at[i, 'pdbSequence']
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  source = data.at[i, 'source']
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  chain = data.at[i, 'chain']
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  uniprotID = data.at[i, 'uniprotID']
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  pdbID = data.at[i, 'pdbID']
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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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+
 
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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]