fatmacankara commited on
Commit
6bd86dc
·
1 Parent(s): 8f9f827

Update code/alphafold_featureVector.py

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Files changed (1) hide show
  1. code/alphafold_featureVector.py +1 -3
code/alphafold_featureVector.py CHANGED
@@ -691,9 +691,7 @@ def alphafold(input_set, mode, impute):
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  st.write('existing_free_sasa', existing_free_sasa)
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  if ID not in existing_free_sasa:
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  fullID = f'AF-{uniprotID}-F{mod}-model_v4.pdb.gz'
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- run_freesasa(fullID),
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- Path(path_to_output_files / f'freesasa_files/AF-{uniprotID}-F{mod}.txt'), include_hetatms=True,
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- outdir=None, force_rerun=False)
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  st.write('Calulated')
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  #calculate_freesasa(uniprotID, mod, existing_free_sasa, alphafold_path, path_to_output_files)
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  if (mutationPositionOnPDB != 'nan'):
 
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  st.write('existing_free_sasa', existing_free_sasa)
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  if ID not in existing_free_sasa:
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  fullID = f'AF-{uniprotID}-F{mod}-model_v4.pdb.gz'
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+ run_freesasa(fullID),Path(path_to_output_files / f'freesasa_files/AF-{uniprotID}-F{mod}.txt'), include_hetatms=True,outdir=None, force_rerun=False)
 
 
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  st.write('Calulated')
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  #calculate_freesasa(uniprotID, mod, existing_free_sasa, alphafold_path, path_to_output_files)
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  if (mutationPositionOnPDB != 'nan'):