Metadata-Version: 1.0
Name: pymetfrag
Version: 0.2.0
Summary: Python wrapper of metfrag 2.3 for ms/ms based identification of LCMS data
Home-page: http://sis.id.ethz.ch
Author: Uwe Schmitt
Author-email: uwe.schmitt@id.ethz.ch
License: http://opensource.org/licenses/LGPL-2.1
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.
        
        .. _Metfrag: http://c-ruttkies.github.io/MetFrag/
        
Platform: UNKNOWN
