JUSTUS2/Software/Schrodinger

Schrödinger
module load	chem/schrodinger
Availability	BwForCluster_Chemistry
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.

Availability

Schrödinger is available on the HPC cluster Justus2 to users of the system for no charge.

Remote Visualization

You can connect to the visualization hosts

justus2-vis01.rz.uni-ulm.de
justus2-vis01.rz.uni-ulm.de

of the system to access the graphical interface "maestro" using a vnc viewer.

Please follow the documentation on our page on VNC

Running

If you are on one of the vis servers inside VNC:

vglrun maestro -NOSGL

on normal login hosts inside VNC without hardware accelerations

maestro -SGL