OpenEye / packages / OpenEye-toolkits-python3.5-win32 2019.4.2

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Installers

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pip install

To install this package with pip, one of the following:
pip install -i https://pypi.anaconda.org/openeye/simple openeye-toolkits-python3.5-win32
pip install -i https://pypi.anaconda.org/openeye/label/alpha/simple openeye-toolkits-python3.5-win32
pip install -i https://pypi.anaconda.org/openeye/label/beta/simple openeye-toolkits-python3.5-win32
pip install -i https://pypi.anaconda.org/openeye/label/tk_archive/simple openeye-toolkits-python3.5-win32
pip install -i https://pypi.anaconda.org/openeye/label/rc/simple openeye-toolkits-python3.5-win32

Description


    Windows
    *******

    .. note::

       As Windows does not have Python installed by default it means there are multiple options for Windows users. Covering all possible installation options is beyond the scope of this manual. Therefore we will outline one specific path that assumes that the user has not got Python installed on their system

       That being said *OpenEye Python Toolkits* are compatible with many versions of Python, including those from Python.org. The toolkits can be used with virtualenv and venv. They can be both conda and pip installed.

       If you have a specific environment and wish to install *OpenEye Python Toolkits* please contact support at [email protected]

    Installing *Anaconda* and OpenEye Python Toolkits
    ================================================================================

    1. Install *Anaconda* from https://www.anaconda.com/download Please select the Python 3x version.

    .. warning::

       If your Windows user name contains a space *Anaconda* will prompt with a warning. Continuing with installation **will** cause issues. Installation into C:\\Anaconda3 should work satisfactorily.

    2. Launch the *Anaconda Navigator* application and navigate to the :ref:`figure_anaconda_environments` tab.

    .. _figure_anaconda_environments:

    .. figure:: images/anaconda_environments.png
       :align:  center
       :width: 400 pt

       **Anaconda Environments**

    3. Click 'Create' at the bottom and a dialog appears. Provide a name for the new environment, e.g. oetoolkits
    as in :ref:`figure_anaconda_create_environment` and click 'Create'.

    .. note::

       On Windows, currently only Python 3.5 or 3.6 versions are supported.

    .. _figure_anaconda_create_environment:

    .. figure:: images/create_environment.png
       :align:  center
       :width: 400 pt

       **Create Environment**

    4. When the new environment has finished initializing click 'Channels' which will bring up a dialog. Click 'Add' and enter https://conda.anaconda.org/openeye as in :ref:`figure_anaconda_add_channel`. Press enter. Then click 'Update channels'.

    .. _figure_anaconda_add_channel:

    .. figure:: images/add_channel.png
       :align:  center
       :width: 400 pt

       **Add OpenEye Channel**

    5. The option 'Not installed' or 'All' should be selected, not 'Installed' as in :ref:`figure_anaconda_list`.

    .. _figure_anaconda_list:

    .. figure:: images/list_channels.png
       :align:  center
       :width: 400 pt

       **List Packages**

    #. In the 'Search packages' box start to type openeye and you should see the openeye-toolkits listed. Tick the box to select them and then click 'Apply' as in :ref:`figure_anaconda_install_tks`

    .. _figure_anaconda_install_tks:

    .. figure:: images/install_tks.png
       :align:  center
       :width: 400 pt

       **Select OpenEye Toolkits**

    6. A dialog will appear indicating openeye-toolkits and additional dependencies will be installed; click 'Apply'.

    7. The toolkits have now been installed. To test this click on the green triangle next to the oetoolkits environment. Select :ref:`figure_anaconda_launch_terminal`.

    .. _figure_anaconda_launch_terminal:

    .. figure:: images/launch_terminal.png
       :align:  center
       :width: 400 pt

       **Open Terminal**

    8. This will bring up the :ref:`figure_anaconda_prompt` with the oetoolkits environment loaded.

    .. _figure_anaconda_prompt:

    .. figure:: images/anaconda_prompt.png
       :align:  center
       :width: 400 pt

       **Anaconda Prompt**

    9. To check the toolkits have been installed please download and run the oecheminfo.py script below:

        .. parsed-literal::

          (C:\\Anaconda3\\envs\\oetoolkits) C:\\Users\\User Name> python oecheminfo.py
          Installed OEChem version: |oechemversion| platform: microsoft-win64-msvc14-x64 built: |builddate|
          ...

    .. oe:language:: python

       .. only:: oehtml

          .. admonition:: Download code

             :download:`oecheminfo.py <../../../wrappers/python/examples/oechem/oecheminfo.py>`

       .. only:: oepdf

          .. oe:source:: oecheminfo.py
             :language: python
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