How To Install python-indigo on Ubuntu 18.04
Introduction
In this tutorial we learn how to install python-indigo on Ubuntu 18.04.
What is python-indigo
python-indigo is:
Indigo is a C++ based organic chemistry and cheminformatics software environment. Features Include:
- Molecule and reaction rendering including SVG support
- Automatic layout for SMILES-represented molecules and reactions
- Canonical (isomeric) SMILES computation
- Exact matching, substructure matching, SMARTS matching
- Matching of tautomers and resonance structures
- Molecule fingerprinting, molecule similarity computation
- Fast enumeration of SSSR rings, subtrees, and edge sugraphs
- Molecular weight, molecular formula computation
- R-Group deconvolution and scaffold detection
- Computation of the exact maximum common substructure for an arbitrary amount of input structures
- Combinatorial chemistry
- Plugin support in the API
File formats Indigo support include MDL Mol, SDF, RDF, CML, SMILES and SMARTS.
This package contains the Python modules.
There are three methods to install python-indigo on Ubuntu 18.04. We can use apt-get, apt and aptitude. In the following sections we will describe each method. You can choose one of them.
Install python-indigo Using apt-get
Update apt database with apt-get using the following command.
sudo apt-get update
After updating apt database, We can install python-indigo using apt-get by running the following command:
sudo apt-get -y install python-indigo
Install python-indigo Using apt
Update apt database with apt using the following command.
sudo apt update
After updating apt database, We can install python-indigo using apt by running the following command:
sudo apt -y install python-indigo
Install python-indigo Using aptitude
If you want to follow this method, you might need to install aptitude first since aptitude is usually not installed by default on Ubuntu. Update apt database with aptitude using the following command.
sudo aptitude update
After updating apt database, We can install python-indigo using aptitude by running the following command:
sudo aptitude -y install python-indigo
How To Uninstall python-indigo on Ubuntu 18.04
To uninstall only the python-indigo package we can use the following command:
sudo apt-get remove python-indigo
Uninstall python-indigo And Its Dependencies
To uninstall python-indigo and its dependencies that are no longer needed by Ubuntu 18.04, we can use the command below:
sudo apt-get -y autoremove python-indigo
Remove python-indigo Configurations and Data
To remove python-indigo configuration and data from Ubuntu 18.04 we can use the following command:
sudo apt-get -y purge python-indigo
Remove python-indigo configuration, data, and all of its dependencies
We can use the following command to remove python-indigo configurations, data and all of its dependencies, we can use the following command:
sudo apt-get -y autoremove --purge python-indigo
References
Summary
In this tutorial we learn how to install python-indigo package on Ubuntu 18.04 using different package management tools: apt, apt-get and aptitude.
