mdinspect command not found
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.