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Read and write idXML files using pyopenms #52
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Co-authored-by: Ralf Gabriels <[email protected]>
Black reformatting mostly responsible for the number of files changed 😁 Ready to review @RalfG |
@jonasscheid thanks for this PR, we have an issue in quantms that depends on this PR. @RalfG we have tested the previous version and it is really not working. Can you help us and give priority to this PR and a new version of ms2rescore for me to test 😜. Thanks in advance. |
@ypriverol Can you test if the reader and writer do a proper job for you? Would be good to know before this can be merged |
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Great work, @jonasscheid! I did some benchmarking, and this implementation is about 5x faster at reading idXML than the previous version 🚀
Some more minor points that require attention and a bigger one (modification parsing) that did not seem to be working yet.
Added
io.idxml
: Write support for idXML files, including merging an existing idXML with aPSMList
🎉Changed
io.idxml
: Use pyOpenMS instead of Pyteomics for reading idXML (~5x faster⚡)