mdtrajEasy Examples

Molecular dynamics trajectory analysis

Getting started with mdtraj

Installation and basic usage of mdtraj.

python
# Install: pip install mdtraj
import mdtraj

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

mdtraj is a third-party package. Molecular dynamics trajectory analysis. Install with: pip install mdtraj

Common mdtraj operations

Frequently used features of mdtraj.

python
# Install: pip install mdtraj
import mdtraj

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

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

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