Python wrapper of metfrag for ms/ms based identification of LCMS data
Project description
This libraries wraps Metfrag. It needs pandas installed and works nicley with emzed, though emhed 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.
Project details
Release history Release notifications | RSS feed
Download files
Download the file for your platform. If you're not sure which to choose, learn more about installing packages.
Source Distribution
pymetfrag-0.1.0.tar.gz
(29.3 MB
view hashes)