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.
Basic Usage
A usage example by Jupyter Notebook can be seen here.
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]
Requirements
Installation
Install The Metabolic Disassembler with pip.
$ pip install metadisassembler
Google Colab
You can try the process from installation to the basic usage in Google Colab.
Project details
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