How To Install indigo-utils on Debian 12
Introduction
In this tutorial we learn how to install indigo-utils on Debian 12.
What is indigo-utils
indigo-utils 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 following utilities:
- indigo-depict: Molecule and reaction rendering utility
- indigo-cano: Canonical SMILES generator
- indigo-deco: R-Group deconvolution utility
- chemdiff: Visual comparison of two SDF or SMILES files (needs the JAVA libraries)
There are three methods to install indigo-utils on Debian 12. We can use apt-get, apt and aptitude. In the following sections we will describe each method. You can choose one of them.
Install indigo-utils Using apt-get
Update apt database with apt-get using the following command.
sudo apt-get update
After updating apt database, We can install indigo-utils using apt-get by running the following command:
sudo apt-get -y install indigo-utils
Install indigo-utils Using apt
Update apt database with apt using the following command.
sudo apt update
After updating apt database, We can install indigo-utils using apt by running the following command:
sudo apt -y install indigo-utils
Install indigo-utils 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 indigo-utils using aptitude by running the following command:
sudo aptitude -y install indigo-utils
How To Uninstall indigo-utils on Debian 12
To uninstall only the indigo-utils package we can use the following command:
sudo apt-get remove indigo-utils
Uninstall indigo-utils And Its Dependencies
To uninstall indigo-utils and its dependencies that are no longer needed by Debian 12, we can use the command below:
sudo apt-get -y autoremove indigo-utils
Remove indigo-utils Configurations and Data
To remove indigo-utils configuration and data from Debian 12 we can use the following command:
sudo apt-get -y purge indigo-utils
Remove indigo-utils configuration, data, and all of its dependencies
We can use the following command to remove indigo-utils configurations, data and all of its dependencies, we can use the following command:
sudo apt-get -y autoremove --purge indigo-utils
Dependencies
indigo-utils have the following dependencies:
References
Summary
In this tutorial we learn how to install indigo-utils package on Debian 12 using different package management tools: apt, apt-get and aptitude.