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73f2f0c
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Parent(s):
ffb4736
Update code/add_alignment.py
Browse files- code/add_alignment.py +3 -3
code/add_alignment.py
CHANGED
@@ -306,12 +306,12 @@ def annotation_pos_on_pdb(annot_positions, startGap, alignment_to_use, identifie
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def final_stage(df, annotation_list, alignment_path):
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for i in df.index:
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-
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identifier = df.at[i, 'uniprotID'] + '_' + df.at[i, 'pdbID'] + '_' + df.at[i, 'chain'] + '_'
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alignment_list = do_alignment(identifier, df.at[i, 'uniprotSequence'], df.at[i, 'pdbSequence'], alignment_path)
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df.at[i, 'pdb_alignStatus'] = mutation_position_on_pdb(alignment_list, df.at[i, 'pos'])[0]
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df.at[i, 'mutationPositionOnPDB'] = mutation_position_on_pdb(alignment_list, df.at[i, 'pos'])[1]
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startGap = mutation_position_on_pdb(alignment_list, df.at[i, 'pos'])[2]
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alignment_to_use = mutation_position_on_pdb(alignment_list, df.at[i, 'pos'])[3]
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for annot in annotation_list:
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@@ -327,7 +327,7 @@ def final_stage(df, annotation_list, alignment_path):
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str(df.at[i, 'domStart']) != '-1.0' or str(df.at[i, 'domEnd']) != '-1.0':
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df.at[i, 'domainStartonPDB'] = 'nan'
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df.at[i, 'domainEndonPDB'] = 'nan'
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return df
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def alignment(dataframe_to_align, annotation_list, alignment_path):
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def final_stage(df, annotation_list, alignment_path):
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for i in df.index:
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print('i',i)
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identifier = df.at[i, 'uniprotID'] + '_' + df.at[i, 'pdbID'] + '_' + df.at[i, 'chain'] + '_'
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alignment_list = do_alignment(identifier, df.at[i, 'uniprotSequence'], df.at[i, 'pdbSequence'], alignment_path)
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df.at[i, 'pdb_alignStatus'] = mutation_position_on_pdb(alignment_list, df.at[i, 'pos'])[0]
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df.at[i, 'mutationPositionOnPDB'] = mutation_position_on_pdb(alignment_list, df.at[i, 'pos'])[1]
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print('df',df)
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startGap = mutation_position_on_pdb(alignment_list, df.at[i, 'pos'])[2]
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alignment_to_use = mutation_position_on_pdb(alignment_list, df.at[i, 'pos'])[3]
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for annot in annotation_list:
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str(df.at[i, 'domStart']) != '-1.0' or str(df.at[i, 'domEnd']) != '-1.0':
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df.at[i, 'domainStartonPDB'] = 'nan'
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df.at[i, 'domainEndonPDB'] = 'nan'
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print('df_fin',df)
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return df
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def alignment(dataframe_to_align, annotation_list, alignment_path):
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