All unknown are not X, U, O handled

bigbio · Apr 17, 2024 · 67b384d · 67b384d
1 parent 2a8d679
commit 67b384d
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/bin/diann_convert.py b/bin/diann_convert.py
@@ -224,7 +224,7 @@ def compute_mass_modified_peptide(peptide_seq: str) -> float:
         if aa in aa_mass and not_mod:
             aa = aa_mass[aa]
         elif aa not in ['G','A','V','L','I','F','M','P','W','S','C','T','Y','N','Q','D','E','K','R','H'] and not_mod and aa != ")":
-            aa = "X[0.0000]"
+            aa = "X[18.0105644669]" # 17.003288 + 1.00727646688
         peptide_parts.append(aa)
     new_peptide_seq = ''.join(peptide_parts)
     mass = AASequence.fromString(new_peptide_seq).getMonoWeight()