Gold suite

Overview

The GOLD Suite provides a complete solution for docking small molecules in protein binding sites. The Suite includes software tools for structure visualisation and manipulation (Hermes), for protein-ligand docking (GOLD) and for post-processing (GoldMine) and visualisation of docking results.

It is available as a specific application installed in the CSD-System software. The instruction shown below are for running Gold only. Please see the CSD-System software page for instructions on how to run other applications in the CSD-System.

Restrictions on use

This is not free or open source software. To gain access

• you must be an employee or student (PG or UG) of the University of Manchester. Visitors/Collaborators are not allowed access.

The software may be used for

• any and all scientific research purposes, for publishable or proprietary work, and in any collaboration which does not involve payment of fees between the partners.

To gain access to this software: Please email its-ri-team@manchester.ac.uk and confirm that you will comply with the above conditions.

We will then add you to the ccdc-csds group which provides access to CSD/Gold.

Running the application

It is not possible to run this software on the login node. You must use it via qrsh as follows:

1. Ensure you have connected to the CSF with X11 forwarding enabled.
2. Open a terminal on a compute node via qrsh:

   qrsh -l short
   

3. Then in the new terminal load the software version you require by choosing one of the lines to enter below:

   module load apps/binapps/csd/2021.3
   module load apps/binapps/csd/2021.2
   module load apps/binapps/csd/2021
   module load apps/binapps/csd/2020
   module load apps/binapps/csd/2019
   

   Then launch Gold:

   gold &
   

4. When you have finished make sure you close the application, and the terminal.

Previous version may be available via the 2020 version of the software suite. If you need to use the previous version replace the above module load with

module load apps/binapps/csd/2020

Further info

CCDC Gold Suite websiteincluding a link to documentation