OpenEye-toolkits-python3.3-win32
OpenEye-toolkits Python Toolkits
OpenEye-toolkits Python Toolkits
To install this package, run one of the following:
Windows
*******
Installing Python
=================
Download the Python installer appropriate for your Windows system from
http://www.python.org/download/.
.. warning::
Make sure to get the 32-bit version of Python if your system is
only 32-bit Windows. The 32-bit version will work on 64-bit
Windows, but not vice versa. Care should be taken to download the
corresponding 32-bit or 64-bit version of the OpenEye toolkits as
well.
After downloading the installer file, double-click on the file and
follow through the install wizard to complete the installation.
Be sure to make a note of the location of the Python installation (e.g. ``C:\Python27``).
Once Python is installed, set your system's ``Path`` environment variable
to include your Python's installation location.
For example, on Windows 7, press the Windows start button, then
right-click on "Computer", choose "Properties" from the menu that pops up,
then click on "Advanced system settings". On the next window that pops up,
click on the "Advanced" tab (if not already selected) and click on the
"Environment Variables..." button. Another window will appear, and in the bottom
"System variables" section, scroll to the "Path" variable and click on the "Edit..."
button. In the "Edit System Variable" dialog that appears, scroll to the beginning
of the "Variable value" field value and copy the location of your Python installation,
ending with a semi-colon to separate it from the rest of the ``Path`` value
(e.g. "C:\\Python27;").
(Be sure not to delete or modify the rest of the ``Path`` variable.)
Then click the "OK" buttons to close all the opened system settings windows
and to force the new setting to take effect.
Download the OpenEye Python distribution
========================================
Download the distribution from http://www.eyesopen.com/downloads.
You must download the executable which matches your Python version and
your preferred installation mechanism. The following are the available
file types and where their associated installation instructions can be
found later in this document:
- ``.zip`` file installation is described in the
:ref:`virtual_environment_installation` section.
- ``.exe`` file installation is described in the
:ref:`executable_installation` section.
.. tip::
Users are discouraged from installing packages into your global
Python installation, known as ``site-packages``. The recommended
way to install any Python packages is using virtual environments.
.. _virtual_environment_installation:
Virtual Environment Installation
================================
`virtualenv
<http://www.virtualenv.org/en/latest/>`_ creates safe, isolated python
environments in user space, also alleviating the need for administrative access
to install python packages.
Assuming you have virtualenv installed the following commands run in
``cmd.exe`` will create a new virtualenv called ``oepython`` and
install the OpenEye Python Toolkits into it.
.. parsed-literal::
C:\\Users\\myself> C:\Python27\Scripts\virtualenv.exe oepython
...
C:\\Users\\myself> oepython\Scripts\activate.bat
(oepython) C:\\Users\\myself> pip install OpenEye-python2.7-win32-|pypkgversion|.zip
...
(oepython) C:\\Users\\myself> oecheminfo.py
Installed OEChem version: |oechemversion| platform: microsoft-win32-msvc9-x86 built: |builddate|
...
(oepython) C:\\Users\\myself> deactivate
C:\\Users\\myself>
The examples that are included with the OpenEye Python Toolkits will
be installed into the virtual environment's ``Scripts`` directory so
that they can be run from an activated virtual environment. The above
example executes the ``oecheminfo.py`` example script to print out
some basic information as a way to test whether installation completed
successfully.
.. note::
PowerShell can be used with virtual environments as well. Use the
``activate.ps1`` script instead to activate the virtual
environment. To force the OpenEye examples in the ``Scripts``
directory to send their output to the PowerShell window, type the
following into the PowerShell prompt:
.. parsed-literal::
PS C:\\Users\\myself> $env:PATHEXT += ";.py"
.. _executable_installation:
Executable Installation
=======================
Double-click the downloaded installer and follow the install wizard
to complete the installation.
When asked to select the destination of the installation, choose the location
of the Python installation (e.g. ``C:\Python27``).
The toolkit Python interfaces and libraries will be placed inside the Python
directory (e.g. ``C:\Python27\Lib\site-packages\openeye``).
Add the ``OE_LICENSE`` environment variable to point to the toolkit license.
For example, on Windows 7, press the Windows start button, then
right-click on "Computer", choose "Properties" from the menu that pops up,
then click on "Advanced system settings". On the next window that pops up,
click on the "Advanced" tab (if not already selected) and click on the
"Environment Variables..." button. Another window will appear, and in the bottom
"System variables" section, click on the "New..." button.
In the "Edit System Variable" dialog that appears, enter "OE_LICENSE" in the
"Variable name" field and then enter the path to your license file in
the "Variable value" field (e.g. "C:\\oe_license.txt").
Then click the "OK" buttons to close all the opened system settings windows
and to force the new setting to take effect.
All the toolkit documents and examples are found in the Python directory
(e.g. ``C:\Python27\<VERSION>``).
From the ``examples`` directory on the command line
(e.g. ``cd C:\Python27\<VERSION>\examples``),
the examples can be run using a command such as
``python oechem\oecheminfo.py``.
Summary
OpenEye-toolkits Python Toolkits
Last Updated
Jun 1, 2016 at 01:13
License
Other/Proprietary License
Total Downloads
716