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Welcome to the MetaStable software!

MetaStable is a general purpose package for analysis of trajectories generated in molecular dynamics simulations, e. g. by the MolDynSim software. Special emphasis is on metastability analysis of molecular conformations by adaptive spectral clustering techniques. Being written in MATLAB, MetaStable offers easy access to manipulating the codes, testing novel algorithms, and performing all kinds of numerical experiments. To be used mainly in teaching!

MetaStable is a subproject of the TrajLab project. Started early 2010, MetaStable is still in an early (alpha) stage, and any help in further development is highly appreciated.

• Here you can access our Download guide

• Here you can access our Users' guide

• Here you can access our Developers' guide

• Here you can access our Demo examples

Originally devoloped in 2010/11 by F. Haack, S. Röblitz, and M. Weber (ZIB)
Further developed in 2011/12 by G. Perez-Hernandez and B. Schmidt (FUB)

References

Here is a list of publications where the MetaStable software has been described and used
* Adaptive spectral clustering for conformation analysis
* Adaptive spectral clustering with application to tripeptide conformation analysis

Project Admins:

• Marcus Weber
• Susanna Röblitz
• Burkhard Schmidt