mdtraj — Advanced Playground

Molecular dynamics trajectory analysis

Advanced mdtraj techniquesRun locally

Install

pip install mdtraj

Python CodeRun locally

# Install: pip install mdtraj
import mdtraj

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

# Install: pip install mdtraj
import mdtraj

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

These advanced techniques unlock the full power of mdtraj.

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