The Facility has a 6-seat floating license for MacroModel, a package for molecular mechanics and conformational searching of organic and biomolecules.

The graphical interface for MacroModel is provided by Maestro, which is installed on the workstations and cluster login nodes. Local versions for Mac and Windows can be downloaded and installed from:

MacroModel/Maestro [UCI webfiles]

This directory has the necessary license file and several manuals.

Tutorial videos are now available from:

Maestro Videos [UCI media streaming]

 

Installation

Linux:

  1. Ask Nate to set up the NFS mount of the Modeling Facility software.

Macintosh:

  1. Download Schrodinger_Suites_2017-3_MacOSX.dmg and license from the "Installers" directory to your desktop.
     
  2. Install in the default location.
     
  3. Copy the license file to the Schrodinger installation directory. Type the following command in a terminal window:

    cp ~/Desktop/license /opt/schrodinger/suites2017-3/
     

  4. Start Maestro as any other application.
     
  5. If there are problems, try running the Schrodinger "Diagnostics" program.

Windows:

  1. Download Schrodinger_Suites_2017-3_Windows-x64.zip and license.txt from the "Installers" directory to your desktop.
     
  2. Install in the default location.
     
  3. Copy the license.txt file to the Schrodinger installation directory (usually C:\Schrodinger2017). Overwrite the existing dummy license.txt, if necessary.
     
  4. Start Maestro as any other application.
     
  5. If there are problems, try running the Schrodinger "Diagnostics" program.