Bioinformatics Programming
smitostr.py: Python script to convert SMILES to structures.
As mentioned in some of our previous articles, RDKit provides a wide range of functions. In this article, we are using RDKit [1] to draw a molecular structure using SMILES.
Here, we provide a simple Python script for that. Write your SMILE string in front of the smi variable and save the file.
Availability
The script is available on GitHub under the package ‘cheminformatics‘.
Usage
Run the script as shown below:
$ python3 smitostr.py
References
- RDKit: Open-source cheminformatics; http://www.rdkit.org
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