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c5e7ecc
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Parent(s):
749f1f8
Update code/alphafold_featureVector.py
Browse files
code/alphafold_featureVector.py
CHANGED
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@@ -688,8 +688,6 @@ def alphafold(input_set, mode, impute):
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alignments = alignments[0]
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st.write('existing_free_sasa', existing_free_sasa)
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st.write('existing_free_sasa', existing_free_sasa)
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#fullID = f'AF-{uniprotID}-F{mod}-model_v4.pdb.gz'
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@@ -710,6 +708,12 @@ def alphafold(input_set, mode, impute):
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sasa_pos = get_coords(mutationPositionOnPDB, alignments, coords, resnums_for_sasa, mode)[2]
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st.write('sasa_pos', sasa_pos)
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if sasa_pos != np.NaN:
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sasa = 'nan'
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for filename in list(Path(path_to_output_files / 'freesasa_files').glob("*")):
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alignments = alignments[0]
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#fullID = f'AF-{uniprotID}-F{mod}-model_v4.pdb.gz'
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sasa_pos = get_coords(mutationPositionOnPDB, alignments, coords, resnums_for_sasa, mode)[2]
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st.write('sasa_pos', sasa_pos)
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st.write('existing_free_sasa', existing_free_sasa)
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st.write('existing_free_sasa', existing_free_sasa)
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st.write('all', list(Path(path_to_output_files / 'freesasa_files').glob("*")))
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if sasa_pos != np.NaN:
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sasa = 'nan'
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for filename in list(Path(path_to_output_files / 'freesasa_files').glob("*")):
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