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The Metabolic Disassembler

Project description

The Metabolic Disassembler is a Python package to automatically predict a combination of biosynthetic units in a natural product. This software would help to reveal the starting materials of the target natural product.

Installation

Install The Metabolic Disassembler with pip.

$ pip install metadisassembler

Requirements

Command Line Usage

% metadisassembler -h
usage: metadisassembler [-h] [-t TIME] [--hide] [-c] query

positional arguments:
  query                 MDL_Molfile, SMILES, InChI, KEGG_COMPOUND_ID,
                        KNApSAcK_COMPOUND_ID

optional arguments:
  -h, --help            show this help message and exit
  -t TIME, --time TIME  set a time limit [s] [default: 300]
  --hide                hide stereochemistry [default: False]
  -c, --color           output color allocation information [default: False]

Basic Usage

A usage example by Jupyter Notebook can be seen here.

Google Colab

You can try the process from installation to the basic usage in Google Colab. colab-logo

Citation

Amano K, Matsumoto T, Tanaka K, Funatsu K, Kotera M. Metabolic disassembler for understanding and predicting the biosynthetic units of natural products. BMC Bioinformatics 20, 728 (2019) doi:10.1186/s12859-019-3183-9

Project details


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