openbabel — Advanced Playground

Chemical toolbox: format conversion, search, fingerprints

Advanced openbabel techniquesRun locally

Install

conda install -c conda-forge openbabel

Python CodeRun locally

# Install: conda install -c conda-forge openbabel
import openbabel

# Advanced openbabel configuration and usage
print("openbabel advanced patterns")

# Install: conda install -c conda-forge openbabel
import openbabel

# Advanced openbabel configuration and usage
print("openbabel advanced patterns")

These advanced techniques unlock the full power of openbabel.

Try modifying the code above to explore different behaviors. Can you extend the example to handle a new use case?