09. Molecular Docking Experiments, 09.1 Accessing the UCL Cluster and Setting up a VPN

9. Molecular Docking Experiments

9.1 Accessing the UCL Cluster and Setting up a VPN

In order to run your docking experiments, you will need to set up remote access to the UCL cluster, to do this you will need to set up a VPN.

Clicking the link below will take you to the following page, where you will find instructions on how to set this up on your machine.

https://www.ucl.ac.uk/isd/services/get-connected/ucl-virtual-private-network-vpn.

Scrolling down you will find links to instructions specific to your operating system detailing how to install Cisco AnyConnect Secure Mobility Client.

Cisco AnyConnect has been tested for the purposes of these computational drug discovery projects and will allow you to access the UCL cluster and perform docking via Jupyter Hub.

In order to access the cluster, you will need to set up an account, to do this please email Frank Otto on: f.otto@ucl.ac.uk

After you have changed your password you will be able to log in to Jupyter with your new login details and start a new Jupyter Notebook session at https://ntc.chem.ucl.ac.uk:8000/ (ensure you are connected to the VPN via Cisco AnyConnect before clicking on the link).

Alternative Access Routes: Problems with the VPN?

Whilst the VPN is recommended for users, some people might experience problems with using it due to the antivirus requirements. There are alternative access routes to the UCL cluster if this is the case for you. If the VPN is not working for you, you can use Desktop@UCL Anywhere using any web browser in Desktop@UCLAnywhere will allow you to connect to the cluster, this method is a bit slower than the VPN but this shouldn’t be an issue.

If you are in China you should use UCL’s China Connect VPN rather than the AnyConnect VPN, this will be faster and more reliable for students working remotely from China.