IQmol

IQmol is a molecular visualization tool used to view, analyze, and create high-quality 3D images of chemical systems, including small molecules and quantum chemistry results.

Availability and Restrictions

Versions

The following versions of IQmol are available on OSC clusters:

Version Pitzer
2.14

Access 

IQmol is available through an open-source format. 

Publisher/Vendor/Repository and License Type

Andrew Gilbert / Open Source

Usage

Usage on Pitzer

Using IQmol with OSC OnDemand

It is recommended to use IQmol with OSC OnDemand. On the OnDemand page launch the IQmol GUI from the interactive apps dropdown menu. This will open the IQmol application in a new window.

See IQmol reference for basic IQmol usage instructions.

Further Reading 

Supercomputer: 
Service: 
Technologies: