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.. -*- mode: rst -*- | ||
|Travis|_ |Coveralls|_ |Python35|_ | ||
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.. |Travis| image:: https://travis-ci.org/Moguf/cafepy.svg?branch=master | ||
.. _Travis: https://travis-ci.org/Moguf/cafepy | ||
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.. |Coveralls| image:: https://coveralls.io/repos/github/Moguf/cafepy/badge.svg?branch=master | ||
.. _Coveralls: https://coveralls.io/github/Moguf/cafepy?branch=master | ||
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.. |Python35| image:: image:: https://img.shields.io/badge/python-3.5-blue.svg | ||
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cafepy(Python3 scripts) | ||
======================= | ||
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These scripts are for analyzing CafeMol outputs. | ||
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Requirements | ||
------------ | ||
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- python3 >= 3.5.1 | ||
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* Install virtualenv. (RECOMMEND:for protecting your Home environment.) | ||
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python3 -m pip install -U pip setuptools | ||
python3 -m pip install virtualenv | ||
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# or | ||
pip3 install virtualenv | ||
``` | ||
* activate virtualenv | ||
```bash | ||
virtualenv -p python3 venv | ||
source venv/bin/activate | ||
# Removing virtual environment | ||
# (venv) deactivate | ||
``` | ||
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Set Up | ||
------ | ||
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```bash | ||
python3 -m pip install -r requirements.txt | ||
# or | ||
pip3 install -r requirements.txt | ||
``` | ||
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build & install | ||
--------------- | ||
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``` | ||
cd cafepy | ||
python3 setup.py build | ||
python3 setup.py install | ||
``` | ||
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Example | ||
------- | ||
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```bash | ||
python3 -m cafepy com -f filename.dcd -o output.file | ||
``` |
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cafepy | ||
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../../README.md | ||
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Indices and tables | ||
================== | ||
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