WSL 2 Docking Environment: PyMOL & AutoDock

Setting up protein-drug docking environment on windows subsystem for Linux (WSL 2).

Photo by National Cancer Institute on Unsplash

Getting started

Downloading the files

$ cd Downloads/$ wget http://mgltools.scripps.edu/downloads/tars/releases/REL1.5.6/mgltools_x86_64Linux2_1.5.6.tar.gz$ wget http://vina.scripps.edu/download/autodock_vina_1_1_2_linux_x86.tgz
$ wget http://effbot.org/downloads/Imaging-1.1.7.tar.gz
$ sudo apt-get install libjpeg62:i386
$ sudo wget http://autodock.scripps.edu/downloads/autodock-registration/tars/dist426/autodocksuite-4.2.6-x86_64Linux2.tar

Installation

$ cd Downloads$ tar xvf autodocksuite-4.2.6-x86_64Linux2.tar
$ cd x86_64Linux2$ sudo mv autodock4 /usr/local/bin$ sudo mv autogrid4 /usr/local/bin
$ cd Downloads$ tar xvzf mgltools_x86_64Linux2_1.5.6.tar.gz
$ cd mgltools_x86_64Linux2_1.5.6$ ./install.sh
$ cd Downloads/$ tar xvzf autodock_vina_1_1_2_linux_x86.tgz

Creating aliases

$ gedit ~/.bashrc
alias adt='sudo /home/username/Downloads/mgltools_x86_64Linux2_1.5.6/bin/adt'alias pmv='sudo /home/username/Downloads/mgltools_x86_64Linux2_1.5.6/bin/pmv'
$ source ~/.bashrc

UPDATE:

$ sudo apt-get install autodock-vina

References :

Pursuing Masters in Bioinformatics, Digital artist and content creator. Contact: https://linktr.ee/BhageshCodebeast

Get the Medium app

A button that says 'Download on the App Store', and if clicked it will lead you to the iOS App store
A button that says 'Get it on, Google Play', and if clicked it will lead you to the Google Play store