How To Install python-indigo on Debian 10

Learn how to install python-indigo on Debian 10 with this tutorial. python-indigo is Organic Chemistry Toolkit (Python module)

Introduction

In this tutorial we learn how to install python-indigo on Debian 10.

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 Debian 10. 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 Debian. 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 Debian 10

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 Debian 10, 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 Debian 10 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

Dependencies

python-indigo have the following dependencies:

References

Summary

In this tutorial we learn how to install python-indigo package on Debian 10 using different package management tools: apt, apt-get and aptitude.