mdinspect command not found

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

Introduction

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

mdinspect: command not found

or when using sudo you get the following error message

sudo: mdinspect: command not found

Solutions to mdinspect: command not found

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

In Ubuntu mdinspect is provided by python3-mdtraj package.

python3-mdtraj is:

Read, write and analyze MD trajectories with only a few lines of Python code.

MDTraj is a python library that allows users to manipulate molecular dynamics (MD) trajectories. Features include:

  • Wide MD format support, including pdb, xtc, trr, dcd, binpos, netcdf, mdcrd, prmtop, and more.
  • Extremely fast RMSD calculations (4x the speed of the original Theobald QCP).
  • Extensive analysis functions including those that compute bonds, angles, dihedrals, hydrogen bonds, secondary structure, and NMR observables.
  • Lightweight, Pythonic API.

MDTraj includes a command-line application, mdconvert-mdtraj, for converting trajectories between formats.

This package installs the library for Python 3, together with the command line utilities mdconvert-mdtraj and mdinspect.

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

sudo apt-get -y install python3-mdtraj

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

You can also use apt command to install python3-mdtraj.

sudo apt -y install python3-mdtraj

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

sudo aptitude install python3-mdtraj

Summary

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