chemdiff command not found

In this troubleshooting guide we learn how to fix chemdiff command not found error message

Introduction

When you run more command in linux terminal / console, you get the following error message

chemdiff: command not found

or when using sudo you get the following error message

sudo: chemdiff: command not found

Solutions to chemdiff: command not found

How To Fix chemdiff: command not found in Ubuntu / Debian / Kali Linux / Raspbian

In Ubuntu chemdiff is provided by indigo-utils package.

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)

To fix this problem, we can install more using the command below.

sudo apt-get -y install indigo-utils

This command might take some time to finish depending on your machine internet connection.

You can also use apt command to install indigo-utils.

sudo apt -y install indigo-utils

Or if you have aptitude installed you can use the following command.

sudo aptitude install indigo-utils

Summary

In this tutorial we learn how to fix chemdiff command not found error in Ubuntu / Debian / Kali Linux or Raspbian distribution.