fatmacankara commited on
Commit
102c21c
·
1 Parent(s): a714f40

Update code/modbaseModelAdd.py

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Files changed (1) hide show
  1. code/modbaseModelAdd.py +3 -0
code/modbaseModelAdd.py CHANGED
@@ -264,7 +264,10 @@ def addModbaseModels(dataframe, path_to_input_files, path_to_output_files):
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  'AAonPDB': AAonPDB, 'coordVAR': coordVAR, 'sasa':sasa_val}
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  modbase_reduced = modbase_reduced.append(new_row, ignore_index=True)
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  modbase_reduced = modbase_reduced[['uniprotID', 'quality_score', 'model_id', 'coordinates', 'AAonPDB', 'coordVAR', 'sasa']]
 
 
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  modbase = dataframe.merge(modbase_reduced, on='uniprotID', how='left')
 
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  modbase.quality_score = modbase.quality_score.astype(float)
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  modbase = modbase.sort_values(by=['datapoint', 'quality_score'], ascending=False)
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  modbase.reset_index(inplace=True, drop=True)
 
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  'AAonPDB': AAonPDB, 'coordVAR': coordVAR, 'sasa':sasa_val}
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  modbase_reduced = modbase_reduced.append(new_row, ignore_index=True)
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  modbase_reduced = modbase_reduced[['uniprotID', 'quality_score', 'model_id', 'coordinates', 'AAonPDB', 'coordVAR', 'sasa']]
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+ st.write('DF')
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+ st.write(dataframe.to_string())
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  modbase = dataframe.merge(modbase_reduced, on='uniprotID', how='left')
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+ st.write(modbase.to_string())
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  modbase.quality_score = modbase.quality_score.astype(float)
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  modbase = modbase.sort_values(by=['datapoint', 'quality_score'], ascending=False)
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  modbase.reset_index(inplace=True, drop=True)