openbabelEasy Examples

Chemical toolbox: format conversion, search, fingerprints

Getting started with openbabel

Installation and basic usage of openbabel.

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

# Basic openbabel usage
print(f"Using openbabel")
# See documentation for detailed examples
Expected Output
# Expected output shown below
# (Run locally with: openbabel)

openbabel is a third-party package. Chemical toolbox: format conversion, search, fingerprints. Install with: conda install -c conda-forge openbabel

Common openbabel operations

Frequently used features of openbabel.

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

# Common openbabel patterns
print(f"openbabel version: {openbabel.__version__}")

These are the most commonly used features of openbabel in everyday development.

Want to try these examples interactively?

Open Easy Playground