MannLabs / alphapept

A modular, python-based framework for mass spectrometry. Powered by nbdev.
https://mannlabs.github.io/alphapept/
Apache License 2.0
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Issues with double modifications #463

Open straussmaximilian opened 2 years ago

straussmaximilian commented 2 years ago

Describe the bug There can be issues when there would be double-modifications on the same amino acid. This can be the case, e.g. when having a modifcation on an n-terminus of a peptide and a modification on the amino acid of this particular peptide. Allthough it should be modified twice, the way AlphaPept parses the modifications it will only be added once.

To Reproduce Example: e.g. mod<^ (mod on n-terminus) & modP (mod on P) on sample PEPTIDE should be modmodPEPTIDE but will be modPEPTIDE.

Additional context For now there will not be a programmatic solution but a warning that one should use modifications with double-mass instead.