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small fix to deal PS PTM
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Maux82 committed Nov 21, 2018
1 parent 25eebed commit 58b77df
Showing 1 changed file with 2 additions and 2 deletions.
4 changes: 2 additions & 2 deletions moff.py
Original file line number Diff line number Diff line change
Expand Up @@ -950,7 +950,7 @@ def build_matched_modification(data, ptm_map, tol, moff_pride_flag, h_rt_w):
# fixed and variable mod are both in the sequence
comps = Counter(
list(chain(*[list(std_aa_comp[aa].elements()) for aa in row.peptide])))
if '<' in row.mod_peptide:
if '<' in row.mod_peptide or '-' in row.mod_peptide:
# check only if modificatio are present.
# for the future use dthe tag_mod_sequence_delimiter use in moFF_setting
for ptm in ptm_map.keys():
Expand All @@ -965,7 +965,7 @@ def build_matched_modification(data, ptm_map, tol, moff_pride_flag, h_rt_w):
comps["O"] += 1

theoretical_isotopic_cluster = isotopic_variants(
comps, charge=int(round(row.mass / float(row.mz))), npeaks=3)
comps, charge= int(round(row.mass / float(row.mz))) , npeaks=3)
mz_iso = [peak.mz for peak in theoretical_isotopic_cluster]
delta = mz_iso[0] - mz_iso[1]
mz_iso.append(mz_iso[0] + delta)
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