fatmacankara commited on
Commit
81b44c0
·
1 Parent(s): 18c2f56

Update code/pdb_featureVector.py

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Files changed (1) hide show
  1. code/pdb_featureVector.py +4 -3
code/pdb_featureVector.py CHANGED
@@ -1329,7 +1329,6 @@ def pdb(input_set, mode, impute):
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  existing_free_sasa = [str(i) for i in existing_free_sasa]
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  existing_free_sasa = [i.split('/')[-1].split('.')[0] for i in existing_free_sasa]
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  print('Calculation RSA for PDB Structure Files...\n')
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- st.write('first')
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  st.write(existing_free_sasa)
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  pdb_only = data[data.source == 'PDB']
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@@ -1364,11 +1363,13 @@ def pdb(input_set, mode, impute):
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  outdir=None, force_rerun=False, file_type='pdb'))
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  # This annotation list is different than the prev one, keep it.
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-
 
 
 
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  annotation_list += ['domainStartonPDB', 'domainEndonPDB']
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  folder_path = path_to_output_files / 'freesasa_files'
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- st.write('folder_path', folder_path)
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  aligner = Align.PairwiseAligner()
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  print('Proceeding to 3D distance calculation...\n')
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  data.domainEndonPDB = data.domainEndonPDB.astype(str)
 
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  existing_free_sasa = [str(i) for i in existing_free_sasa]
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  existing_free_sasa = [i.split('/')[-1].split('.')[0] for i in existing_free_sasa]
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  print('Calculation RSA for PDB Structure Files...\n')
 
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  st.write(existing_free_sasa)
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  pdb_only = data[data.source == 'PDB']
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  outdir=None, force_rerun=False, file_type='pdb'))
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  # This annotation list is different than the prev one, keep it.
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+ existing_free_sasa = list(Path(path_to_output_files / 'freesasa_files').glob("*"))
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+ existing_free_sasa = [str(i) for i in existing_free_sasa]
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+ existing_free_sasa = [i.split('/')[-1].split('.')[0] for i in existing_free_sasa]
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+ st.write(existing_free_sasa)
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  annotation_list += ['domainStartonPDB', 'domainEndonPDB']
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  folder_path = path_to_output_files / 'freesasa_files'
 
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  aligner = Align.PairwiseAligner()
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  print('Proceeding to 3D distance calculation...\n')
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  data.domainEndonPDB = data.domainEndonPDB.astype(str)