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pystallone 1.0.0b7

Python binding for Stallone java library

Package Documentation

This package is a Python binding for the Stallone Java library, which is an effort to combine multiple tools for building Markov models from molecular trajectory data.

It provides a high level API for:

  • wrapping data (trajectories, math structures)
  • (linear) algebra
  • discretize MD trajectories
  • perform coordinate transformations
  • multiple methods for estimate Markov models
  • generate trajectories from potential
  • free energy estimation

For more information have a look at the current Stallone website: http://github.com/markovmodel/pystallone

 
File Type Py Version Uploaded on Size
pystallone-1.0.0b7.tar.gz (md5) Source 2015-01-20 2MB