Avogadro

Description

Avogadro is a 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.

Grace

To load a particular version of Avogadro on Grace:

ml Avogadro/1.2.0

To launch VMD:

avogadro

Terra

Avogadro is currently not available on terra.