Pyrx is a bioinformatics software that is used for virtual screening of a large number of compounds against targets [1]. In this article, we will install Pyrx on Ubuntu.

Getting started

Let’s update and upgrade the system first.

$ sudo apt-get update

$ sudo apt-get upgrade

Downloading Prerequisites

You need to install pip before installing Pyrx. Open a terminal and type the following command.

For Python2

$ sudo apt install python-pip

For Python3

$ sudo apt install python3-pip

To check the installation, type:

$ pip --version

Downloading Pyrx

Change to the directory where you want to download the software. Let’s say, Downloads.

$ cd Downloads/

Download the binary file from here.

Installing Pyrx

Method-I

To start the installer, grant execution permission and then install it as shown below.

$ chmod +x Pyrx-0.8-linux-x86_64-install

$ ./Pyrx-0.8-linux-x86_64-install

Method-II

You can install Pyrx using pip. For that, you will have to install pip first.

For Python2

$ sudo apt-get install python-pip

For Python3

$ sudo apt-get install python3-pip

Now install Pyrx using pip.

$ pip install -U wxPython

Now, you have successfully installed Pyrx on your system.

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References

1. Dallakyan, S., & Olson, A. J. (2015). Small-molecule library screening by docking with PyRx. In Chemical biology (pp. 243-250). Humana Press, New York, NY.