X-ray Crystallography

Last updated July 05, 2023

X-ray crystallography is the experimental science determining the atomic and molecular structure of a crystal.

Researchers have the ability to conduct x-ray crystallography on CARC systems. Below is an example of how to use CARC’s Artemis private cloud to perform structure determination.

0.0.1 Required software packages

Before you get started, download and install the following software packages:

0.0.2 Structure determination using Artemis

Structure determination can be performed in a virtual machine (VM) on CARC’s Artemis cloud platform.

Before using Artemis, you must request an allocation for it. See the Request a New Allocation user guide for instructions.

Follow the step-by-step how-to guide to create a virtual machine on our Artemis platform with the following settings:

  • Ubuntu 22.04 template
  • 4-8 CPU cores
  • 8-16 GB of memory

All other parameters set to default.

Access the remote desktop application by selecting the monitor icon next to the VM name to launch VNC or follow the instructions to use RDP.

Once the remote desktop has launched, open up the terminal in the VM and activate conda environment with the software package of your choice. All CARC storage systems are accessible directly within the VM.

A secure USC connection is required to access CARC systems, including Artemis. See the Connecting to a USC VPN quick-start guide if you are trying to access CARC systems off-campus.

0.0.3 Additional resources

If you have questions or need help, please submit a help ticket and we will assist you.