diff --git a/map_structural_features/3rze.map.rates_features.csv b/map_structural_features/3rze.map.rates_features.csv index 05a78d5..19faf5e 100644 --- a/map_structural_features/3rze.map.rates_features.csv +++ b/map_structural_features/3rze.map.rates_features.csv @@ -1,508 +1,508 @@ pdb_position,chain,pdb_aa,aln_position,dN/dS,LRT,p-value,Total_branch_length,Rate,lower_bound_95CI,upper_bound_95CI,structure,rsa,wcn_sc,wcn_ca -,,,1,0.0,0.0,1.0,0.0,0.0,0.0,23980.141154890887,,,, -,,,22,0.5888238361276323,0.6025872284360432,0.4375925804721016,2.427625481637649,2.231500188198122,0.7815688071621405,5.012617993079059,,,, -,,,23,0.0,0.0,1.0,0.0,0.0,0.0,0.95963359510477,,,, -,,,12,1.2547296608373808,0.1764236600213849,0.6744648780521512,5.164479079755752,4.344341050238322,1.71614320951251,10.15984995600898,,,, -,,,13,0.6251469463005549,0.8741173757049552,0.3498179613325421,3.690415700554511,3.776828217646917,1.320223929330744,8.550594201223005,,,, 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''' for rate in rates: - seq_map = seq_map.set_index('aln_position').join(rate.set_index('Site')).reset_index() - + seq_map = seq_map.set_index('aln_position').join(rate.set_index('Site')).reset_index() + return seq_map def align_features(seq_map, features): @@ -59,9 +59,8 @@ def align_features(seq_map, features): ''' pdb_indices = ['pdb_position', 'chain', 'pdb_aa'] for feature in features: - seq_map = seq_map.set_index(pdb_indices).join( - feature.set_index(pdb_indices)).reset_index() - + seq_map = seq_map.set_index(pdb_indices).join(feature.set_index(pdb_indices)).reset_index() + return seq_map def main(): @@ -108,5 +107,6 @@ def main(): # Write aligned features and rates to CSV seq_map.to_csv(output_file, index=False) + if __name__ == "__main__": main()