From 58b77df63d2b74a4c9f9a832cc7dca6dd7cfa9a6 Mon Sep 17 00:00:00 2001 From: Maux82 Date: Wed, 21 Nov 2018 11:15:18 +0100 Subject: [PATCH] small fix to deal PS PTM --- moff.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/moff.py b/moff.py index bff6965..f211dc0 100755 --- a/moff.py +++ b/moff.py @@ -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(): @@ -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)