about avogadro

In the next article nosotros are going to take a look at Avogadro. This is a free, open source, molecular editing application for Gnu / Linux, Windows and MacOS. It is a program that can be used in computational chemistry, molecular modeling, bioinformatics, materials science, and many other fields.

The application is used in VTK for analysis and visualization capabilities. It also supports volume representation for point data or catamenia lines for vector fields. It offers flexible, high-quality rendering and a powerful plugin architecture. Is nigh a simple and easy-to-use software, ready to be used by students and researchers. Avogadro is complimentary software that yous tin redistribute and / or change under the terms of the GNU Full general Public License, published by the Complimentary Software Foundation, either version 2 of the License or any afterward version.

Unlike other web-based 2D / 3D molecular viewers, Avogadro uses OpenGL straight and offers native desktop packages. This application uses a fix of standards that allow reckoner programs to employ 2D / 3D hardware rendering functions (Only by the full GPU dispatch tech). Avogadro supports out-of-the-box multi-threaded computation and processing, has interactive tools, commands, and custom Python scripts.

Full general characteristics of Avogadro

molécula de ácido sulfúrico

  • It'due south a multiplatform program, and then nosotros can use information technology in Gnu / Linux, Windows and Mac OSX.
  • Is a light program offering loftier performance.
  • Despite all that it offers, it has some minimum hardware requirements.
  • The program is translated into different languages, equally they are; Chinese, French, German language, Italian, Russian, Castilian, and some others.
  • Its interface is articulate and easy to utilise.
  • Includes a big fix of tools for measurement, alignment, visualization, manipulation and drawing.
  • It volition likewise offer us extensions bundled with the extensions managing director.
  • Will allow u.s. import from various applications.
  • Supports many open formats.

tabla periódica

  • We will be able consult the periodic table.
  • We tin build 2nd and 3D molecule models.
  • Allows yous to insert, build and change predesigned modules (Dna, RNA, Fragment, SMILES, Peptide, Polymer).
  • Visualization of electrostatic potential maps.
  • Use of analysis of atoms in molecules (Bader): QTAIM and WFN.
  • Molecule-surface interactions.

formándo moléculas

  • We can manipulate, measure and align with tools. We tin as well count on selection, auto-rotate, and auto-optimize tools.
  • The team Avogadro offers all users a set of Tutorials for developers to help, compile from source and contribute your extensions. They likewise publish clear API documentation.

Install Avogadro on Ubuntu

Avogadro is bachelor every bit a flatpak pack for Ubuntu system. Before installing this plan, we must have this technology enabled in our system. If you nevertheless do not have information technology and you use Ubuntu 20.04, you can go along The Guide that a colleague wrote on this weblog a while ago.

When you lot already take this technology enabled on your system, you can continue with the installation. You simply need to open a final (Ctrl + Alt + T) and run the following control in it to install Avogadro:

instalar avogadro 

flatpak install flathub org.openchemistry.Avogadro2

Subsequently the installation, yous can run the program looking for the pitcher on our squad. You tin can also open the Avogadro molecular editor using the following command in the terminal:

lanzador avogadro 

flatpak run org.openchemistry.Avogadro2

Uninstall

For, remove this program, nosotros volition only need to open a terminal (Ctrl + Alt + T) and execute the command in it:

desinstalar avogadro 

flatpak uninstall org.openchemistry.Avogadro2

Avogadro is an advanced molecule viewer and editor, which is designed for cross-platform use in fields such as computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. What's more offers flexible quality rendering with a powerful plugin compages.

This software is an open up source project, which aims to be used worldwide without restrictions past all developers, researchers and students who desire to. It can get more information about this plan at project website or from your page on GitHub.