Metadata-Version: 2.1
Name: scipion-chem-retrosynthesis
Version: 0.2
Summary: Scipion framework plugin for the use of retrosynthesis software tools
Home-page: https://github.com/scipion-chem/scipion-chem-retrosynthesis
Author: Martín Salinas
Author-email: martin.salinas@cnb.csic.es
Keywords: scipion retrosynthesis scipion-3.0 cheminformatics
License-File: LICENSE
Requires-Dist: scipion-pyworkflow
Requires-Dist: scipion-em
Requires-Dist: scipion-chem

.. |organization| replace:: scipion-chem
.. |repository| replace:: scipion-chem-retrosynthesis

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Retrosynthesis scipion plugin
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**Documentation under development, sorry for the inconvenience**
Scipion framework plugin for the use of retrosynthesis software tools.
  
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Install this plugin
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You will need to use `Scipion3 <https://scipion-em.github.io/docs/docs/scipion
-modes/how-to-install.html>`_ to run these protocols.

Aizynthfinder, is installed automatically by Scipion.

- **Install the stable version**

    Through the plugin manager GUI by launching Scipion and following **Others** >> **Plugin Manager**

    or

.. parsed-literal::

    scipion3 installp -p \ |repository|\ 


- **Developer's version**

    1. Download repository:

    .. parsed-literal::

        git clone \https://github.com/\ |organization|\ /\ |repository|\ .git

    2. Install:

    .. parsed-literal::

        scipion3 installp -p /path/to/\ |repository|\  --devel
  
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Protocols
========================================
This plugin contains the following protocols:

**None for now**

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Packages & enviroments
========================================
Packages installed by this plugin can be located in ``/path/to/scipion/software/em/``.

The following packages will be created:

- aizynthfinder-``version``

Where ``version`` is the current version of that specific package.

Also, the following conda enviroments will be created:

- aizynthfinder-``version``

As of today, Scipion does not automatically uninstall the conda enviroments created in the installation process when uninstalling a plugin, so keep this list in mind if you want to clean up some disk space if you need to uninstall this one.

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External software
========================================
This plugin integrates the following software:
  
.. _aizynthfinder: https://github.com/MolecularAI/aizynthfinder
.. |aizynthfinder| replace:: **Aizynthfinder** 

- |aizynthfinder|_: Tool for retrosynthetic planning.

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Changelog
========================================
All the recent version changes can be found `here <https://github.com/scipion-chem/scipion-chem-retrosynthesis/blob/devel/CHANGES.rst>`_.
