How To Install libschroedinger-maeparser1 on Ubuntu 20.04

In this tutorial we learn how to install libschroedinger-maeparser1 on Ubuntu 20.04. libschroedinger-maeparser1 is parser for Schrödinger Maestro files

Introduction

In this tutorial we learn how to install libschroedinger-maeparser1 on Ubuntu 20.04.

What is libschroedinger-maeparser1

libschroedinger-maeparser1 is:

Maestro is a commercial “all-purpose molecular modeling environment”, produced and distributed by the company Schrödinger. Maestro has its own cognate file format, typically associated with the “.mae” file extension. This package provides an Open Source parser for the Maestro file format, released and maintained by the Maestro developers.

This facilitates a lossless transition from the widely accepted suite of Schrödinger into local custom developments or the Open Source world at large. Maeparser handles output from:

  • Molecular Dynamics applications, such as Desmond and FEP+
  • Ligand-Protein Docking applications, such as Glide
  • Homology Modeling and folding applications, such as Prime
  • Ligand-based search applications, such as Phase and Phase Shape
  • Quantum Mechanics applications, such as Jaguar
  • Protein-Protein Docking applications
  • … many other backends used in both Life and Material Sciences

There are three methods to install libschroedinger-maeparser1 on Ubuntu 20.04. We can use apt-get, apt and aptitude. In the following sections we will describe each method. You can choose one of them.

Install libschroedinger-maeparser1 Using apt-get

Update apt database with apt-get using the following command.

sudo apt-get update

After updating apt database, We can install libschroedinger-maeparser1 using apt-get by running the following command:

sudo apt-get -y install libschroedinger-maeparser1

Install libschroedinger-maeparser1 Using apt

Update apt database with apt using the following command.

sudo apt update

After updating apt database, We can install libschroedinger-maeparser1 using apt by running the following command:

sudo apt -y install libschroedinger-maeparser1

Install libschroedinger-maeparser1 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 Ubuntu. Update apt database with aptitude using the following command.

sudo aptitude update

After updating apt database, We can install libschroedinger-maeparser1 using aptitude by running the following command:

sudo aptitude -y install libschroedinger-maeparser1

How To Uninstall libschroedinger-maeparser1 on Ubuntu 20.04

To uninstall only the libschroedinger-maeparser1 package we can use the following command:

sudo apt-get remove libschroedinger-maeparser1

Uninstall libschroedinger-maeparser1 And Its Dependencies

To uninstall libschroedinger-maeparser1 and its dependencies that are no longer needed by Ubuntu 20.04, we can use the command below:

sudo apt-get -y autoremove libschroedinger-maeparser1

Remove libschroedinger-maeparser1 Configurations and Data

To remove libschroedinger-maeparser1 configuration and data from Ubuntu 20.04 we can use the following command:

sudo apt-get -y purge libschroedinger-maeparser1

Remove libschroedinger-maeparser1 configuration, data, and all of its dependencies

We can use the following command to remove libschroedinger-maeparser1 configurations, data and all of its dependencies, we can use the following command:

sudo apt-get -y autoremove --purge libschroedinger-maeparser1

References

Summary

In this tutorial we learn how to install libschroedinger-maeparser1 package on Ubuntu 20.04 using different package management tools: apt, apt-get and aptitude.