goldsuite
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.
Version 5.3 and 5.2 are installed. (22.10.13 – 5.1 no longer works and access to it has been removed.)
Versions 5.7.0 is available as part of the CSD-System software.
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
module load apps/binapps/goldsuite/5.2
Running the application
- Ensure you have connected to the iCSF with X11 forwarding enabled.
- Load the modulefile.
- To start the software use the command:
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
Dec 2014 – 5.3 installed.
22.10.13 – 5.1 no longer works and access to it has been removed. 5.2 has been installed.