precursor

Compute minimal metabolic precursors sets that enable the production of target metabolites.


Keywords
metabolic-network
License
GPL-3.0+
Install
pip install precursor==1.2.4

Documentation

Installation

You can install precursor by running:

$ pip install --user precursor

On Linux the executable script can then be found in ~/.local/bin

and on MacOS the script is under /Users/YOURUSERNAME/Library/Python/3.6/bin.

Usage

Typical usage is:

$ precursor.py --autoseeds network targets 

For more options you can ask for help as follows:

$ precursor.py --help
usage: precursor.py [-h] [--autoseeds] net inputs

positional arguments:
  net          metabolic network in SBML format
  inputs       targets in XML format

optional arguments:
  -h, --help   show this help message and exit
  --autoseeds  compute possible seed metabolites

Samples

An archive with sample files is available here.