Villen-Lab / pyAscore

A python package for fast post translational modification localization, powered by Cython.
https://pyascore.readthedocs.io/
MIT License
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Expand file types #18

Closed AnthonyOfSeattle closed 2 years ago

AnthonyOfSeattle commented 2 years ago

This PR adds one new file type to both the spectral inputs and the PSM inputs. The new spectral file type is mzXML. I decided against adding the mgf file type for now due to difficulty in getting out the scan number from the header. The new PSM file type is an mzIdentML, but I did not make it the default yet, which remains the pepXML. I also added some tests for at the least the XML based file types.