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Table of Contents
Install PyMOL on Windows
If you are on Ubuntu, installing PyMOL is as easy as sudo apt-get install pymol
. Unfortunately, almost all students in my medicinal biochemistry course use Windows as their OS (why?!). This page contains a “followable” set of instructions to install PyMOL on Windows. Note that you could use the PyMOL installation from Schrodinger, but you need a paid licence for that (yuck!).
Installing the Python Interpreter
So, first we a Python interpreter. PyMOL is written in the Python programming language, hence you need this to run PyMOL.
- Download Python 3.7.2 from the Python website (the file you want is called
Windows x86-64 executable installer
). - Run the downloaded file and select the customized installation. Leave everything as is, with the exception of the install location. Set this to
C:\Python37
Downloading PyMOL
PyMOL is a complex bit of software and requires some other libraries which we need to install.
- From the PyMOL section on the Gohlke page, download the file
pymol‑2.3.0‑cp37‑cp37m‑win_amd64.whl
in directoryC:\pymol_installation
. You need to create this directory first from Windows Explorer. - Under the PyMOL section on the Gohlke page, also download the file
pymol_launcher‑2.1‑cp37‑cp37m‑win_amd64.whl
in directoryC:\pymol_installation
.
You should now have two files in your C:\pymol_installation
directory.
Installing PyMOL (and its Dependencies)
- Open a Command Prompt. Search for the Command Prompt, right-click and click on Run as administrator option.
- In the command prompt execute
pip install wheel
. - In the command prompt execute
pip install –upgrade pip
- Go to the PyMOL installation directory
cd \pymol_installation
- Run the command
pip install pymol-2.3.0-cp37-cp37m-win_amd64.whl
- Run the command
pip install pymol_launcher-2.1-cp37-cp37m-win_amd64.whl
Running PyMOL
To run PyMOL you just need to type pymol
in the Command Prompt. Alternatively, browse your C:\Python37
directory, right-click on the file pymol.exe
and select the option Send to followed by Desktop (create shortcut. You can now access PyMOL by clicking on the PyMOL icon on your desktop.