Schrodinger Maestro
Schrodinger software¶
The UVM Cancer Center has licensed some of the software available from Schrödinger.
This software is only accessible by people approved by the Cancer Center.
This software is restricted by license server software to one (1) user/usage at a time. See below how to specify to Slurm that a job will need a license for Schrodinger software.
The elements thus far licensed are as follows:
| Module names | Number of tokens |
|---|---|
| ConfGen, Epik, Glide, LigPrep, MacroMode, Prime | 16 total |
| Maestro, OPLS Access, KNIME | 1 each |
Please read the excerpted license agreement below as you and your research group will be responsible for complying.
Specifying a license for Slurm¶
To specify that you will use one of the licensed Schrodinger programs, you
will need to use the --license option for the job. To specify this in
a Slurm job script, use
For srun or salloc, use the --license=maestro:1 option with the command.
Please see Running an Interactive Job with
srun for details on the srun command options.
For the OnDemand Desktop application, you will need to put maestro:1 into
the box provided for software license.
License terms for usage¶
As a user of Schrodinger software, you are responsible for adhering to all the restrictions imposed on its use in the End User License Agreement, and most especially Section 10.1(ii,iii), which reads
...the Software may only be used for academic or research purposes and cannot be used, directly or indirectly, for any project that supports, or is supported by, commercial efforts or a commercial enterprise, provided that this restriction shall not apply to basic research projects supported by a commercial enterprise where such commercial enterprise has no commercial or proprietary interest or rights in the outcome of such basic research; and (iii) any results, inventions, or discoveries generated using the Software are to be publicly disclosed and may not be kept confidential or proprietary, and such results or discoveries should be made available in and dedicated to the public domain without restriction. Licensee shall not use the Software for commercial purposes, or maintain the confidentiality of results or discoveries, unless Licensee pays in advance for an upgrade of its Non-Commercial License to a full commercial license pursuant to the then-current pricing generally offered by Schrödinger to its customers. A “Qualified Non-Commercial User” is a student enrolled at an accredited higher education institution, a faculty or staff member employed by an accredited higher education institution, or an employee of a not-for-profit organization or government agency.