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CCP4
Overview
CCP4 provides an integrated suite of programs that allows researchers to determine macromolecular structures by X-ray crystallography, and other biophysical techniques.
Version 7.0 (pre-compiled binaries) is installed on the CSF.
Restrictions on use
This software requires that users are added to a unix group to access it. Requests for access should be directed to its-ri-team@manchester.ac.uk
All users MUST read and agree to the CCP4 license before they can be added to the unix group. The information below provides some guidance, but is not a substitute for the license:
What may CCP4 may be used for?
Academic Purposes only which according to the license (clause 1.1) is “fundamental or basic research or academic teaching, including any fundamental research that is funded by any public or charitable body, but not any purpose that generates revenue (as opposed to grant income) for the Licensee or any third party. Any research that is wholly or partially sponsored by any profit making organisation or that is carried out for the benefit of any profit-making organisation is not an Academic Purpose”.
What may CCP4 not be used for?
Commercial usage is not permitted. “Any research that is wholly or partially sponsored by any profit making organisation or that is carried out for the benefit of any profit-making organisation is not an Academic Purpose”.
Modifications, reproduction, transmission and transference of the software
Derived Work (see clause 1.1 for a definition) may be used only for academic purposes (clause 2.3).
Derived Works must be notified to STFC and a copy provided to them within 1 year.
Further terms in relation to Derived Works can be found in clauses 2.1.1, 2.2.2
Access to source code is not possible on the CSF.
How should the program be cited?
Please see the CCP4 website for details.
Set up procedure
To access the software you must first load the modulefile:
module load apps/binapps/ccp4/7.0
Running the application
Please do not run CCP4 on the login node. Jobs should be submitted to the compute nodes via batch.
Batch job examples
Awaiting further details.
Further info
Updates
None.