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Updated README.md and install.rst with pypi.
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tarus committed Oct 1, 2019
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8 changes: 5 additions & 3 deletions README.md
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<img src="https://github.com/gayverjr/pyemap/blob/master/docs/logo/pyemap_logo.png">
</div>

[![Build Status](https://travis-ci.org/gayverjr/pyemap.svg?branch=master)](https://travis-ci.org/gayverjr/pyemap) [![codecov](https://codecov.io/gh/gayverjr/pyemap/branch/master/graph/badge.svg)](https://codecov.io/gh/gayverjr/pyemap/branch/master) [![Documentation Status](https://readthedocs.org/projects/pyemap/badge/?version=latest)](https://pyemap.readthedocs.io/en/latest/?badge=latest) [![Website emap.bu.edu](https://img.shields.io/website-up-down-green-red/https/emap.bu.edu.svg)](https://emap.bu.edu/) [![License](https://img.shields.io/badge/License-BSD%203--Clause-blue.svg)](https://github.com/gayverjr/pyemap/blob/master/LICENSE) [![DOI:10.1021/acs.jpcb.9b04816](https://zenodo.org/badge/DOI/10.1021/acs.jpcb.9b04816.svg)](https://doi.org/10.1021/acs.jpcb.9b04816)
[![GitHub release](https://img.shields.io/github/release/gayverjr/pyemap.svg)](https://github.com/gayverjr/pyemap)[![Build Status](https://travis-ci.org/gayverjr/pyemap.svg?branch=master)](https://travis-ci.org/gayverjr/pyemap) [![codecov](https://codecov.io/gh/gayverjr/pyemap/branch/master/graph/badge.svg)](https://codecov.io/gh/gayverjr/pyemap/branch/master) [![Documentation Status](https://readthedocs.org/projects/pyemap/badge/?version=latest)](https://pyemap.readthedocs.io/en/latest/?badge=latest) [![License](https://img.shields.io/badge/License-BSD%203--Clause-blue.svg)](https://github.com/gayverjr/pyemap/blob/master/LICENSE)

PyeMap is a Python package aimed at automatic identification of electron and hole transfer pathways in proteins.
[![Website emap.bu.edu](https://img.shields.io/website-up-down-green-red/https/emap.bu.edu.svg)](https://emap.bu.edu/) [![DOI:10.1021/acs.jpcb.9b04816](https://zenodo.org/badge/DOI/10.1021/acs.jpcb.9b04816.svg)](https://doi.org/10.1021/acs.jpcb.9b04816)

PyeMap is a Python package aimed at automatic identification of electron and hole transfer pathways in proteins.
It serves as the backend for the web application [eMap](https://emap.bu.edu/), and can also be used as a fully functional Python package.

- **Documentation:** https://readthedocs.org/projects/pyemap/
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### Pip
Pip installation will only install python dependencies, and requires [Graphviz](https://graphviz.gitlab.io/) in order to work. This is sufficient to run PyeMap analysis and view graph images, but some features will be missing.
```
pip install --extra-index-url https://testpypi.python.org/pypi pyemap
pip install pyemap
```
For full functionality, install [RDKit](https://www.rdkit.org/docs/Install.html), [MSMS](http://mgltools.scripps.edu/packages/MSMS), [DSSP](https://swift.cmbi.umcn.nl/gv/dssp/DSSP_3.html), and [wget](https://www.gnu.org/software/wget/), all of which can be downloaded free of charge from their owners, and are available on most platforms.

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6 changes: 3 additions & 3 deletions docs/install.rst
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Expand Up @@ -29,10 +29,10 @@ And finally, install PyeMap::

**Pip**

Pip installation will only install python dependencies, and requires Graphviz_ in order to work.
Pip installation will only install python dependencies, and requires Graphviz_ in order to work.
This is sufficient to run PyeMap analysis and view graph images, but some features will be missing::

$ pip install --extra-index-url https://testpypi.python.org/pypi pyemap
$ pip install pyemap

For full functionality, install the following packages:

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$ make
$ make install

And then add the executables to a directory on your systems’ path.
And then add the executables to a directory on your systems’ path.

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