Avogadro

Description

Avogadro is an open-source, cross-platform molecular editor and visualizer tool that is very popular for computational chemistry.

• Homepage: https://avogadro.cc/

Access

Running Avogadro in the Portal

Avogadro is available on Grace as a singularity container which must be executed on compute nodes. It is suggested to run Avogadro using VNC implemented under Interactive Apps in the Portal. When the portal VNC terminal is started, use the following commands to launch Avogadro.

Loading the Module

Grace

To find what Avogadro versions are available, use module spider:

module spider Avogadro

To learn how to load a specific module version, use module spider:

module spider Avogadro/1.2.0

To load Avogadro:

module load Avogadro/1.2.0

After loading the module, you can launch Avogadro using:

avogadro