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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.
Versions 5.3 is installed. (22.10.13 – 5.1 no longer works and access to it has been removed. 18.10.18 – 5.2 no longer works and access to it has been removed.)
Restrictions on use
This software is restricted to one research group. Users need to be added to a unix group to gain access. Please contract its-ri-team@manchester.ac.uk if you believe you are entitled to use this application.
Set up procedure
To access the software you must first load the appropriate modulefile:
module load apps/binapps/goldsuite/5.3
Running the application
It is not possible to run this software on the login node. You must use it via qrsh as follows:
- Ensure you have connected to the CSF with X11 forwarding enabled.
- Load the modulefile.
- Open a terminal on a compute node via
qrsh:qrsh -V -l short -l inter xterm
- Then in the new terminal start the software:
gold
- When you have finished make sure you close the application, and the terminal.
Further info
- CCDC Gold Suite website
- Documentation is available via the ‘Help’ menu in the application and online
Updates
22.10.13 – 5.1 no longer works and access to it has been removed. 5.2 has been installed.
18.10.13 – 5.2 no longer works and access to it has been removed.