How To Install python3-indigo on Ubuntu

Posted on April 1, 2023 (Last modified on May 20, 2023 )

3 minutes • 432 words

Introduction

In this tutorial we learn how to install python3-indigo on Ubuntu.

What is `python3-indigo`

python3-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 python3-indigo on Ubuntu. We can use apt-get, apt and aptitude. In the following sections we will describe each method. You can choose one of them.

Install python3-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 python3-indigo using apt-get by running the following command:

sudo apt-get -y install python3-indigo

Install python3-indigo Using apt

Update apt database with apt using the following command.

sudo apt update

After updating apt database, We can install python3-indigo using apt by running the following command:

sudo apt -y install python3-indigo

Install python3-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 python3-indigo using aptitude by running the following command:

sudo aptitude -y install python3-indigo

How To Uninstall python3-indigo on Ubuntu

To uninstall only the python3-indigo package we can use the following command:

sudo apt-get remove python3-indigo

Uninstall python3-indigo And Its Dependencies

To uninstall python3-indigo and its dependencies that are no longer needed by Ubuntu, we can use the command below:

sudo apt-get -y autoremove python3-indigo

Remove python3-indigo Configurations and Data

To remove python3-indigo configuration and data from Ubuntu we can use the following command:

sudo apt-get -y purge python3-indigo

Remove python3-indigo configuration, data, and all of its dependencies

We can use the following command to remove python3-indigo configurations, data and all of its dependencies, we can use the following command:

sudo apt-get -y autoremove --purge python3-indigo

Dependencies

python3-indigo have the following dependencies:

References

python3-indigo website

Summary

In this tutorial we learn how to install python3-indigo package on Ubuntu using different package management tools: apt, apt-get and aptitude.