Details
- Numerous structure prediction methods are available via the command line.
- Web services with graphical interfaces are freely available with limited capacity.
- OpenOnDemand provides a simple graphical interface to HPC systems.
- Several institutional HPCs have an OpenOnDemand deployment (e.g. KOD @ UNSW, ARE @ NCI).
Completed
- Pilot app developed and hosted on Katana at UNSW.
In Progress
- Adapt pilot ProteinFold app for ARE at NCI.
Future
- Add support for more optional settings in web form interface.
Computational Systems Officer, Structural Biology Facility UNSW
Computational Scientist, Structural Biology Facility UNSW
HPC specialist (Life and Health Sciences), National Computational Infrastructure (NCI)
Associate Director - Performance Optimisation, National Computational Infrastructure (NCI)
Senior Research Associate, Structural Biology Facility UNSW