Procedure for logon and use of Insight

INSIGHT (InsightII) is a graphical user interface that allows you to examine molecules or systems of molecules. It also has interfaces to the molecular dynamics program DISCOVER, the DFT program DMol3 and analysis programs such as DECIPHER.

On your computer

• ssh [your_account]@chastity.isis.unc.edu

On chastity the first time you run you will need to use the comand

• imd

Go to the temporary directory

• cd /nas/ncsu/[your_account]

This is essential since your home directory does not have a lot of space and you may create temporary files or have other conflicts that will prevent you from running insightII.

Create any needed subdirectories under /nas/ncsu that will contain your work

• mkdir [new_directory]
• cd [new_directory]

Now you are in a temporary directory and you can run insightII. There are two modes.

If you need 3-D graphics for CPK and thick stick diagrams then you will run the program as:

• insightII -axxess

If you need to use the Builder and particularly if you need to use the Atoms/Replace command while building a molecule, you will run the program under X-windows as:

• insightII -axxess

If you create any files of interest copy them to your home account using

• cp [filename] /home/edu/[your_account]

Keep in mind that any files in the /nas/ncsu directory or any of its subdirectories will be purged within a few days after they were created.