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Prediction of the atomic composition based on a single accurate mass -- Python

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pacMASS


This is a Python package to predict the elemental composition of peptides and proteins based on the monoisotopic mass.

Please refer to Claesen, Jürgen; Valkenborg, Dirk; and Burzykowski, Tomasz (2019) De novo prediction of the elemental composition of peptides and proteins based on a single mass. Journal of Mass Spectrometry, DOI:10.1002/jms.4367

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Prediction of the atomic composition based on a single accurate mass -- Python

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