Ordering of peptides - Githubissues

hgb-bin-proteomics / CandidateSearch

Proof-of-concept implementation of a search engine that uses sparse matrix multiplication to identify the best peptide candidates for a given mass spectrum.

https://hgb-bin-proteomics.github.io/CandidateSearch

MIT License

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Ordering of peptides #26

Closed michabirklbauer closed 9 months ago

michabirklbauer commented 9 months ago

To get deterministic results (e.g. the same results when using the same input parameters) the peptides need to be ordered after digestion. Probably here: https://github.com/hgb-bin-proteomics/CandidateSearch/blob/fffdfc76f38a5e31cbda4b71ee316a23601af2a3/amanda/FASTAParser.cs#L50

Use an in-place sort comparing the sequences, I guess.