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Generate and analyze Amber MD files.
- Free software: BSD 3-Clause License
pip install ambgen
You can also install the in-development version with:
pip install https://github.com/tclick/python-ambgen/archive/master.zip
If you have Anaconda or Miniconda installed, you can use:
make conda
You can also install the in-development version with:
make conda-dev
https://python-ambgen.readthedocs.io/
To run all the tests run:
tox
Note, to combine the coverage data from all the tox environments run:
| Windows | set PYTEST_ADDOPTS=--cov-append tox |
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| Other | PYTEST_ADDOPTS=--cov-append tox |