How can I use the Schrödinger Python modules with other Python modules?

The easiest way to use other Python modules with the Schrödinger modules is to add the path to these modules to your PYTHONPATH environment variable. Python packages generally come with a setup.py script and may be installed to a common location with

python setup.py install --prefix=pathname

or

python setup.py install --home=pathname

This enables you to choose the installation directory, which you can then add to your PYTHONPATH environment variable. However, if you also have modules that are incompatible with the Schrödinger modules, you can add the ones you want to use with the Schrödinger modules to the SCHRODINGER_PYTHONPATH environment variable.

To run a Python script that uses the Schrödinger modules, you must use the Python interpreter that is supplied with the Schrödinger software installation, which you can do with the command

$SCHRODINGER/run myscript.py

The Schrödinger interpreter must be used because these modules rely on some environment settings, and because the modules are compiled with the specific version of Python in the installation.

Keywords: Python, script

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