mdtraj — Expert Playground

Molecular dynamics trajectory analysis

mdtraj expert patternsRun locally

Install

pip install mdtraj

Python CodeRun locally

# Install: pip install mdtraj
import mdtraj

# Expert-level mdtraj usage
# Performance optimization and internals
print("mdtraj expert patterns")

# Install: pip install mdtraj
import mdtraj

# Expert-level mdtraj usage
# Performance optimization and internals
print("mdtraj expert patterns")

Expert-level mdtraj usage for performance-critical and production-grade applications.

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