IQmol
Description
From the IQmol web site: IQmol is a free open-source molecular editor and visualization package. It offers a range of features including a molecular editor, surface generation (orbitals and densities) and animations (vibrational modes and reaction pathways).
Version
- 2.2
Authorized Users
CIRCE
account holders
Platforms
CIRCE
Running IQmol on CIRCE
Modules
IQmol requires the following module file to run:
apps/iqmol/2.2
See Modules for more information.
Starting the Application
First, you will need to have properly configured an X11 session. This can be accomplished using an “ssh -Y” connection from a Linux box or an SSH client in Windows. Alternatively, a CIRCE Desktop Environment session can also be used. For more information about the CIRCE Desktop Environment, please see our CIRCE Desktop Environment documentation.
Below is an example for using an ssh connection from the command line.
[user@localhost ~]$ ssh -Y circe.rc.usf.edu [user@circe ~]$ module add apps/iqmol/2.2 [user@circe ~]$ iqmol
Finally, go to File->Open and open your molecule file.
Manuals and Test Data
- Official IQmol Documentation
- Known IQmol sample inputs
- /apps/iqmol/2.2/samples
Reporting Bugs
Report bugs with IQmol to the IT Help Desk: rc-help@usf.edu