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updated readme and docs
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gayverjr committed Apr 2, 2022
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4 changes: 2 additions & 2 deletions README.md
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Expand Up @@ -17,11 +17,11 @@ It serves as the backend for the web application [eMap](https://emap.bu.edu/), a
# Installation

### 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 installation will only install python dependencies, This is sufficient to run PyeMap analysis and view graph images, but some features will be missing.
```
pip install pyemap
```
For full functionality, install [RDKit](https://www.rdkit.org/docs/Install.html), [MUSCLE](https://www.drive5.com/muscle/), [MSMS](http://mgltools.scripps.edu/packages/MSMS) (not available on Mac OS Catalina and later), and [DSSP](https://swift.cmbi.umcn.nl/gv/dssp/DSSP_3.html), all of which can be downloaded free of charge from their owners, and are available on most platforms.
For full functionality, install [RDKit](https://www.rdkit.org/docs/Install.html), [Graphviz](https://graphviz.gitlab.io/), [PyGraphviz](https://pygraphviz.github.io/), [MUSCLE](https://www.drive5.com/muscle/), [MSMS](http://mgltools.scripps.edu/packages/MSMS) (not available on Mac OS Catalina and later), and [DSSP](https://swift.cmbi.umcn.nl/gv/dssp/DSSP_3.html), all of which can be downloaded free of charge from their owners, and are available on most platforms.

# Getting started
Please see our tutorials for [single](https://pyemap.readthedocs.io/en/latest/tutorial/single_protein.html) and [multiple](https://pyemap.readthedocs.io/en/latest/tutorial/mining.html) protein analysis to help get started using PyeMap. We also provide sample Jupyter notebooks in the examples directory.
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7 changes: 5 additions & 2 deletions docs/install.rst
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Expand Up @@ -4,8 +4,8 @@ PyeMap officially supports Python versions 3.7 and later, and has been tested fo

**Pip**

Pip installation will only install python dependencies, and requires a working Graphviz_ installation.
This is sufficient to run PyeMap analysis, but some features will be missing::
Pip installation will only install python dependencies. This is sufficient to run PyeMap analysis,
but some features will be missing::

$ pip install pyemap

Expand All @@ -15,6 +15,8 @@ For full functionality, install the following packages:
- MSMS_: residue depth criterion for surface exposed residues (not available on MacOS Catalina)
- DSSP_: solvent accessibility criterion for surface exposed residues
- MUSCLE_: Multiple sequence alignment
- Graphviz_: visualization of graphs
- PyGraphviz_ : visualization of graphs

All of these packages can be downloaded free of charge from their respective owners, and build recipes are available on the
Anaconda_ cloud for some platforms.
Expand All @@ -23,6 +25,7 @@ Anaconda_ cloud for some platforms.
.. _MSMS: http://mgltools.scripps.edu/packages/MSMS
.. _DSSP: https://github.com/cmbi/xssp/releases
.. _Graphviz: https://graphviz.gitlab.io/
.. _Pygraphviz: https://pygraphviz.github.io/
.. _RDKit: https://www.rdkit.org/docs/Install.html
.. _MUSCLE: http://www.drive5.com/muscle/
.. _RCSB: https://www.rcsb.org/
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