JUSTUS2/Software/Schrodinger
| Schrödinger | |
|---|---|
| module load | chem/schrodinger |
| Availability | bwUniCluster | BwForCluster_Chemistry | bwGRiD Tuebingen |
| License | commercial |
| Citing | 5. See Schrodinger manual |
| Links | Homepage | Documentation |
| Graphical Interface | Yes, Maestro, Desmond |
Description
Schrödinger is a collection of software chemical or biochemical use. It offers various tools, like Maestro, that acts like an interface to all other schrödinger software and it is supposed to be used for material science, to investigate the structure, the reactivity and properties of chemical systems. Maestro is part of the Materials science suite.
Versions and Availability
A list of versions currently available on all bwHPC-C5-Clusters can be obtained from the
Cluster Information System CIS {{#widget:Iframe |url=https://cis-hpc.uni-konstanz.de/prod.cis/bwUniCluster/chem/schrodinger |width=95% |border=0 }}
On the command line interface of any bwHPC cluster you'll get a list of available versions by using the command
module avail chem/schrodinger
The module is called 'schrodinger' and not 'schoedinger' or 'schrödinger'!
Availability
Schrödinger is available on the HPC cluster Justus2 to users of the system for no charge.
You can connect to the visualization hosts of the system to access the graphical interface "maestro" via VNC