Discovery Studio is a suite of life science software solutions including tools for protein, ligand, and pharmacophore modeling.
Discovery Studio 1.7 and 2.0 are available on the Linux cluster.
Notes on using Discovery Studio on the cluster
- Both of these and other packages part of Accelrys suite can be accessed by first issuing module load ds command and then invoking the relevant binaries.
- SciTegic Pipeline Pilot is a run-time scheduler of sorts that runs the DS jobs in the compute nodes (as seen by SciTegic, not connected to the Torque).
- Pipeline Pilot is not integrated with the Torque/Moab scheduling system, so currently only single-node jobs can be run using DS.
- For GUI-based users using NX, there is a desktop icon called "Discovery Studio-2.0" that can be used to access Discovery Studio 2.0.