inputFile = './data/5.leaderboard_data-1.txt' #inputFile = 'C:/Users/Ashis/Downloads/dataset_102_4 (1).txt' outputFile = './results/5.leaderboard.txt' aminoAcidMassMapFile = './data/integer_mass_table.txt' # set current directory os.chdir(curDir) # read input with open(inputFile) as f: N = int(f.readline().strip()) spectrumLine = f.readline().strip() spectrum = [int(n) for n in spectrumLine.split(" ")] # load SeqUtil methods sys.path.append('code') import SeqUtil importlib.reload(SeqUtil) ### original work #### # load amion acid mass AAMassMap = SeqUtil.loadAminoAcidMass(aminoAcidMassMapFile) # generate sequence from spectrum seq = SeqUtil.leaderboardCyclopeptideSequencing(spectrum, N, AAMassMap.values()) # output with open(outputFile, "w") as f: f.writelines("-".join([str(s) for s in seq]))
inputFile = './data/3.theoretical-spectrum-data-1.txt' #inputFile = 'C:/Users/Ashis/Downloads/dataset_98_3.txt' outputFile = './results/3.theoretical-spectrum.txt' aminoAcidMassMapFile = './data/integer_mass_table.txt' # set current directory os.chdir(curDir) # read input with open(inputFile) as f: peptide = f.readline().strip() # load SeqUtil methods sys.path.append('code') import SeqUtil importlib.reload(SeqUtil) ### original work #### # load amion acid mass AAMassMap = SeqUtil.loadAminoAcidMass(aminoAcidMassMapFile) # generate spectrum spectrum = SeqUtil.cyclospectrum(peptide, AAMassMap) # output with open(outputFile, "w") as f: f.writelines(" ".join([str(s) for s in spectrum]))