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Python wrapper of metfrag 2.3 for ms/ms based identification of LCMS data

Project Description

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.

Release History

Release History

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0.5.1

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0.5.0

This version
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0.4.4

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0.4.3

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0.4.2

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0.4.1

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0.4.0

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0.3.0

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0.2.0

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0.1.0

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0.0.2

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0.0.1

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File Name & Checksum SHA256 Checksum Help Version File Type Upload Date
pymetfrag-0.4.4.tar.gz (32.4 MB) Copy SHA256 Checksum SHA256 Source Aug 4, 2016

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