#list of files that contain L vs RSA data data = [] #list of sequences with missing RSA values bad_list = [] #Get all the RSA values using DSSP seq_data = af.get_noah_RSA_values(pdb_id, chain_id) RSA = seq_data[1] #Get the RSA values RSA_dict = seq_data[2] #Get the dict mapping positions to RSA new_RSA = af.get_cut_RSA_values(pdb_id, RSA, RSA_dict) index = 0 #Arrays full of the designed and natural sequences natural_data_arr = cut_natural_sequences designed_data_arr = af.get_cut_designed_sequences(designed_file) fpW_natural = open("results_array_natural_" + pdb_id + "_" + chain_id + ".csv","w") fpW_designed = open("results_array_" + pdb_id + "_" + chain_id + "_" + "soft" + ".csv","w") #write the RSA values: fpW_natural.write(af.dump_csv_line(new_RSA)) fpW_designed.write(af.dump_csv_line(new_RSA)) if(len(new_RSA) != len(natural_data_arr[0].strip())): print "Error !!!!!!!!!" #print data_arr[0].strip() bad_list.append(natural_pdb_file_title) if(len(new_RSA) != len(natural_data_arr[0].strip())): print "Error !!!!!!!!!"
#list of files that contain L vs RSA data data = [] #list of sequences with missing RSA values bad_list = [] #Get all the RSA values using DSSP seq_data = af.get_noah_RSA_values(pdb_id, chain_id) RSAValues = [] RSA = seq_data[1] RSA_dict = seq_data[2] new_RSA = af.get_cut_RSA_values(pdb_id, RSA, RSA_dict) #Gets the RSA values that correspond to the correct residues index = 0 natural_data_arr = cut_natural_sequences designed_data_arr = af.get_cut_designed_sequences(designed_file) #Gets the correct designed residues #filepointer for the partial result fpW_natural = open("results_array_natural_" + pdb_id + "_" + chain_id + ".csv","w") fpW_designed = open("results_array_" + pdb_id + "_" + chain_id + "_" + temp + ".csv","w") #write the RSA values: fpW_natural.write(af.dump_csv_line(new_RSA)) fpW_designed.write(af.dump_csv_line(new_RSA)) if(len(new_RSA) != len(natural_data_arr[0].strip())): print "Error !!!!!!!!!" #print data_arr[0].strip() bad_list.append(natural_pdb_file_title) if(len(new_RSA) != len(natural_data_arr[0].strip())):