'NNADTYLEISFTGGTLEPGAHVQIQGRFAKNDWSNYTQSNDYSFKSASQFVEWDQVTAYLNGVLVWGKEPGGSVVPSTQPVTTPPATTKPPAT'

'TIPPSDDPNAGS',

'1ohz': {'start': 'D', 'end': 'NAT'}},

'doc': {'xyn': 'MSHHHHHHKNADSYAKKPHISALNAPQLDQRYKNEFTIGAAVEPYQLQNEKDVQMLKRHFNSIVAENVMKPISIQPEEGKFNFEQADRIVKFA'

'KANGMDIRFHTLVWHSQVPQWFFLDKEGKPMVNECDPVKREQNKQLLLKRLETHIKTIVERYKDDIKYWDVVNEVVGDDGKLRNSPWYQIAGI'

'DYIKVAFQAARKYGGDNIKLYMNDYNTEVEPKRTALYNLVKQLKEEGVPIDGIGHQSHIQIGWPSEAEIEKTINMFAALGLDNQITELDVSMY'

'GWPPRAYPTYDAIPKQKFLDQAARYDRLFKLYEKLSDKISNVTFWGIADNHTWLDSRADVYYDANGNVVVDPNAPYAKVEKGKGKDAPFVFGP'

'DYKVKPAYWAIIDHKVVP',

'1ohz': {'start': 'ESSSVLL', 'end': 'RVIDKFPVAENP'},

'2vn5': {'start': 'V', 'end': 'SKLPSN'},

'3ul4': {'start': 'V', 'end': ''},

'4dh2': {'start': 'WNK', 'end': 'NSAPTF'},

'5new': {'start': '', 'end': 'Y'}}

parser = argparse.ArgumentParser()

parser.add_argument('-coh_files', nargs='+')

parser.add_argument('-doc_files', nargs='+')

parser.add_argument('-threshold', type=float, default=30.0)

args = vars(parser.parse_args())

cohs = OrderedDict({k: v for a in args['coh_files'] for k, v in read_multi_fastas(a).items()})

docs = OrderedDict({k: v for a in args['doc_files'] for k, v in read_multi_fastas(a).items()})

mw_df = pd.DataFrame(columns=['coh_seq', 'coh_weight']+list(docs.keys()))

for i, coh in enumerate(cohs.values()):

coh.add_prefix = flanks['coh']['cbm']

coh_weight = coh.calc_molecular_weight()

print(coh.get_seq(), coh_weight)

weights_combined = []

for doc in docs.values():

doc.add_prefix(flanks['doc']['xyn'])

weights_combined.append(coh_weight+doc.calc_molecular_weight())

mw_df.loc[coh.name] = [coh, coh_weight] + weights_combined

print(mw_df)

diffs = []

for coh1 in cohs.keys():

for doc1 in docs.keys():

coh_doc_1 = mw_df[doc1][coh1]

for coh2 in cohs.keys():

for doc2 in docs.keys():

if coh1 != coh2 and doc1 != doc2:

diff = abs(coh_doc_1 - mw_df[doc2][coh2])

diffs.append(diff)

if diff <= args['threshold']:

print('%s %s and %s %s have a weight difference of only %f' % (coh1, doc1, coh2, doc2, diff))

plt.boxplot(diffs)