idock  is a multithreaded software based on Autodock Vina. It is a virtual screening tool for flexible ligand docking. It also supports 27 different chemical elements including zinc, magnesium, iron, calcium, etc. In this article, we are going to install idock on Ubuntu.
Open a terminal by pressing Ctrl+Alt+T. Update and upgrade your system using the following commands:
$ sudo apt-get update
$ sudo apt-get upgrade
You can download idock from here or use the following command. At first, change to a directory where you want to download the software. We are going to download it in the ‘Downloads‘ directory.
$ cd Downloads/
$ wget https://github.com/HongjianLi/idock/archive/refs/tags/v2.2.3.tar.gz
Extract the downloaded software.
$ tar xvzf v2.2.3.tar.gz
A new directory is created namely, idock-2.2.3. Inside this directory, you will find a bin directory, and then inside it, there will be a Linux directory. Move inside the Linux directory.
$ cd idock-2.2.3/bin/Linux/
There you will find a binary file of idock. Now copy this binary to /usr/bin/ directory so that you can use it from anywhere.
$ sudo cp idock /usr/bin/
It is successfully installed on your system, whenever you want to use idock just type
$ idock along with the other arguments.
- Li, H., Leung, K. S., & Wong, M. H. (2012, May). idock: A multithreaded virtual screening tool for flexible ligand docking. In 2012 IEEE Symposium on Computational Intelligence in Bioinformatics and Computational Biology (CIBCB) (pp. 77-84). IEEE.
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PatchDock is a docking algorithm that is based on the shape complementarity principle [1,2]. It performs molecular docking of any two types of molecules including proteins, DNA, drugs, and peptides. In this article, we are going to install PatchDock on Ubuntu (Linux). (more…)