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.
1 maintainer
Download files
Download the file for your platform. If you're not sure which to choose, learn more about installing packages.
Source Distribution
pymetfrag-0.5.1.tar.gz
(32.4 MB
view details)
File details
Details for the file pymetfrag-0.5.1.tar.gz.
File metadata
- Download URL: pymetfrag-0.5.1.tar.gz
- Upload date:
- Size: 32.4 MB
- Tags: Source
- Uploaded using Trusted Publishing? No
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 |
283e9e3f064ab25e8605bbbee8bc0d4b17d8b017eb10953e5dd509bbcd078e43
|
|
| MD5 |
5812e01a279bf08b36e7c3c2abc8e112
|
|
| BLAKE2b-256 |
39a6191693ca328d0bf57bf99c47867cb6a9d9101816f280aaadb25e108a1d4e
|
