smith-chem-wisc / mzLib

Library for mass spectrometry projects
GNU Lesser General Public License v3.0
26 stars 33 forks source link

Test fixed mod gptmd mod competition during digestion #764

Closed trishorts closed 8 months ago

trishorts commented 8 months ago

Dr. Frey wanted to know what happens when you have a fixed mod in the same spot as a uniprot mod. This PR adds a unit test that evaluates that functionality. Here we have an xml database with acetylation on serine at position 2. I created a fixed mod (hydroxylation of serine) and passed that into the protein.digest function. Digestion of that protein yields both forms showing that the uniprot mod replaces the fixed mod when necessary and you get peptides with both acetyl and oh.