CSD-System
Overview
CSD-System is a suite of tools for structural chemists. It includes the CSD Python API and GoldSuite.
Version 2019 is installed on the iCSF.
Gold is part of this software suite.
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.
Please email its-ri-team@manchester.ac.uk and confirm that you will comply with the above conditions.
Set up procedure
We now recommend loading modulefiles within your jobscript so that you have a full record of how the job was run. See the example jobscript below for how to do this. Alternatively, you may load modulefiles on the login node and let the job inherit these settings.
Load one of the following modulefiles:
module load apps/binapps/csd/2019
Using gold
module load apps/binapps/csd/2019 gold &
Please note that you may see some messages and warnings when launching gold, as long as the GUI opens all should be well.