def cyclic_spectra(peptide):
out_spectrum = [0, total_mass(peptide)]
peptide_2 = peptide + peptide
for k in range(1, len(peptide)):
for n in range(len(peptide)):
subpep = peptide_2[n:n+k]
out_spectrum.append(total_mass(subpep))
return sorted(out_spectrum)
def cyclic_spectra(peptide):
out_spectrum = [0, total_mass(peptide)]
peptide_2 = peptide + peptide
for k in range(1, len(peptide)):
for n in range(len(peptide)):
subpep = peptide_2[n:n + k]
out_spectrum.append(total_mass(subpep))
return sorted(out_spectrum)
def linear_spectrum(peptide):
out_spectrum = [0]
for i in range(0, len(peptide)):
for j in range(i, len(peptide)):
subpep = peptide[i:j + 1]
out_spectrum.append(total_mass(subpep))
return sorted(out_spectrum)
def linear_spectrum(peptide): out_spectrum = [0] for i in range(0, len(peptide)): for j in range(i, len(peptide)): subpep = peptide[i:j+1] out_spectrum.append(total_mass(subpep)) return sorted(out_spectrum)
#N = 10
#spectrum = [0, 71, 113, 129, 147, 200, 218, 260, 313, 331, 347, 389, 460]
#print(single_amino(spectrum))
candidates = single_amino(spectrum)
#winner = ''
#candidates = amino_table.keys()
winner = ''
winner_score = 0
while candidates:
candidates = branching(candidates)
new_candidates = []
for candidate in candidates:
c_mass = total_mass(candidate)
t_mass = spectrum[-1]
if c_mass == t_mass:
new_candidates.append(candidate)
c_score = score(candidate, spectrum)
if c_score > winner_score:
winner = candidate
#winner_score = c_score
elif c_mass < t_mass:
new_candidates.append(candidate)
candidates = trim(new_candidates, spectrum, N)
LW = []
for i in winner:
LW += [str(amino_table[i])]
#N = 10
#spectrum = [0, 71, 113, 129, 147, 200, 218, 260, 313, 331, 347, 389, 460]
#print(single_amino(spectrum))
candidates = single_amino(spectrum)
#winner = ''
#candidates = amino_table.keys()
winner = ''
winner_score = 0
while candidates:
candidates = branching(candidates)
new_candidates = []
for candidate in candidates:
c_mass = total_mass(candidate)
t_mass = spectrum[-1]
if c_mass == t_mass:
new_candidates.append(candidate)
c_score = score(candidate, spectrum)
if c_score > winner_score:
winner = candidate
#winner_score = c_score
elif c_mass < t_mass:
new_candidates.append(candidate)
candidates = trim(new_candidates, spectrum, N)
LW = []
for i in winner:
LW += [str(amino_table[i])]