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.