schrodinger
Software Description
Schrödinger provides a complete suite of software solutions with the latest advances in pharmaceutical research and computational chemistry. These software are all available under Maestro, Schrödinger\'s single common graphical user interface that provides a powerful, fully-integrated molecular visualization and analysis environment. Schrödinger is widely recognized as a scientific leader in developing state-of-the-art chemical simulation software for use in pharmaceutical and biotechnology research. The company\'s products range from general molecular modeling programs to a full-featured suite of drug design software including both ligand and structure based methods. Schrödinger uses Maestro, a common graphical user interface to all of Schrödinger\'s software.
Info
Module Name
schrodinger
Last Updated On
10/17/2023
Support Level
Primary Support
Software Access Level
Limited Licenses
Home Page
Documentation
Software Description
Schrödinger provides a complete suite of software solutions with the latest advances in pharmaceutical research and computational chemistry. These software are all available under Maestro, Schrödinger\'s single common graphical user interface that provides a powerful, fully-integrated molecular visualization and analysis environment. Schrödinger is widely recognized as a scientific leader in developing state-of-the-art chemical simulation software for use in pharmaceutical and biotechnology research. The company\'s products range from general molecular modeling programs to a full-featured suite of drug design software including both ligand and structure based methods. Schrödinger uses Maestro, a common graphical user interface to all of Schrödinger\'s software.
General Linux
To run this software interactively in a Linux environment use the commands:
module load schrodinger
maestro
On a remote (ssh or NX) connection, use maestro\'s -SGL option for better graphics performance:
maestro -SGL
It is also possible to run maestro using our NICE remote-visualization systems for better performance than is possible on other remote connections. Establish a NICE connection as described in our NICE documentation , and then run the following commands in a terminal window inside the NICE session:
module load schrodinger
maestro
Please note that Schrodinger is only configured to submit jobs to Mesabi, so you must be connected to Mesabi if you would like to submit a job from the Maestro interface. Additional Information Home Page Documentation can be found in the help menu in Maestro. See Help > Manual Index to access Schrodinger\'s library of tutorials and technical documentation.
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2021.3
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