PYTHONPATH Installation¶
If you do not have root access or do not want to use pip, you can use the PYTHONPATH installation method.
Download the tarball that matches the python version, operating system, and architecture of your target machine’s configuration. The OpenEye Python Toolkits packages can be download from the Product Downloads page.
Untar the downloaded distribution tarball:
$ tar xvf OpenEye-toolkits-python3-linux-x64-|pypkgversion|.tar.gz
This will yield a directory structure like the following:
OpenEye-toolkits-python3-linux-x64-|pypkgversion|/ openeye/ libs/ python3-linux-x64/ docexamples/ examples/
Set the
PYTHONPATH
environment variable in order to enable the Python interpreter to find the openeye` directory. ThePYTHONPATH
environment variable can be set in your shell startup script~/.bashrc
For example, if the package was untarred into the/usr/local
directory:PYTHONPATH=/usr/local/OpenEye-toolkits-python3-linux-x64-|pypkgversion| export PYTHONPATH
The syntax and location may vary if you use a shell other than
bash
.The equivalent can be done in Python code as follows:
$ python ... >>> import sys >>> sys.path.append("/usr/local/OpenEye-toolkits-python3-linux-x64-|pypkgversion|")
Substitute the path to the actual toolkit location.
All the toolkit examples can be found in the
examples
directory. From theexamples
directory on the command line, the examples can be run using a command such as:$ python oechem/oecheminfo.py Installed OEChem version: |oechemversion| platform: linux-g++4.x-x64 built: |builddate| ..