GitHub - jimsnyderjr/msmbuilder: Extensible software for building Markov State Models for Biomolecular Conformational Dynamics

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Extensible software for building Markov State Models for Biomolecular Conformational Dynamics

simtk.org/home/msmbuilder

GPL-2.0 license

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Name		Name	Last commit message	Last commit date
Latest commit History 425 Commits
Docs		Docs
Extras		Extras
TestFiles		TestFiles
Tutorial		Tutorial
new_tests		new_tests
scripts		scripts
src		src
.gitignore		.gitignore
AUTHORS		AUTHORS
COPYING		COPYING
MANIFEST.in		MANIFEST.in
README		README
RevisionHistory.txt		RevisionHistory.txt
Tutorial.pdf		Tutorial.pdf
setup.py		setup.py
tox.ini		tox.ini

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Usage
-----
See Tutorial.pdf for complete installation and usage instructions.

To install MSMBuilder:

python setup.py build
python setup.py install

Web Based Documentation
-----------------------
Are you curious about how the MSMBuilder internals work, or would you like to  use the MSMBuilder libraries in your own project?

Check out the web based documentation of the libraries at http://msmbuilder.readthedocs.org/en/latest/index.html

Contributing
------------
Have you found a bug? Do you have an idea for a great new feature, or a gripe about an existing one? Have you written some code that you'd like to contribute to MSMBuilder? Awesome! We'd love to have your contribution! 

MSMBuilder is hosted on GitHub at https://github.com/SimTk/msmbuilder. Filing an "issue" such as a bug report of feature request is easy and will contribute to  the future development of MSMBuilder. Contributing code is easy too, just fork the repository and then submit a pull request. A few guidelines on contributing can be found at http://msmbuilder.readthedocs.org/en/latest/developer.html