This libraries wraps Metfrag. It needs pandas installed and works nicely with emzed, though emzed is not mandatory.
MetFrag is a freely available software for the annotaion of high precision tandem mass spectra of metabolites which is a first and critical step for the identification of a molecule’s structure. Candidate molecules of different databases are fragmented in silico and matched against mass to charge values. A score calculated using the fragment peak matches gives hints to the quality of the candidate spectrum assignment.
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Release files for pymetfrag 0.5.1
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Source distribution (sdist)
| File | Size | Uploaded | |
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| pymetfrag-0.5.1.tar.gz | 32.4 MB | Details |
Release files / pymetfrag-0.5.1.tar.gz
| Download URL | pymetfrag-0.5.1.tar.gz |
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| Size | 32.4 MB |
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