MDTraj

Installation
New to Python
Examples
What’s New?

Trajectory Reference
Analysis Reference
Atom Selection Reference
Low-level API
OpenMM Reporters
MDTraj Utils
mdconvert

MDTraj HDF5 Format Specification

MDTraj

Benchmarking MDTraj’s RMSD engine
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Benchmarking MDTraj’s RMSD engine

embed

(rmsd-benchmark.ipynb; rmsd-benchmark_eval.ipynb; rmsd-benchmark.py)

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