To install AUDO4RIAS, type this command into your terminal:
git clone https://github.com/mungowz/AUDO4RIAS.git
The GitHub repository of the project will be cloned into a local directory chosen by user.
In the following, external dependencies are listed. We strongly recommend you to follow the installation instructions of the softwares below mentioned.
- MGLTools v1.5.6
- ADFR suite v1.0
- AutoDock Vina (version 1.1.2)
- GNINA
- Open Babel
- XTerm:
sudo apt-get install xterm
Using Python3.8+ version,
- Tkinter:
sudo apt-get install python3-tk - pip:
sudo apt-get install python3-pip
N.B.: For Linux users, bin directories of MGLTools, ADFRsuite and AutoDock Vina, which are placed in the corresponding installation directories, must be added to your global enviroment variable $PATH.
So, modify \home\<username>\.bashrc file adding at the corresponding paths for these directories.
Once updated .bashrc file, type this command for applying the changes:
source \home\<username>\.bashrc
Internal dependencies, which correspond to python packages and libraries, can be installed by typing this command into your terminal:
pip install -r requirements.txt