Can Phase shape screening be run from the command line on Windows?

Yes, you can run programs from the command line in a Unix shell. From Suite 2011 on, you can open a Schrodinger Command Prompt from the Start menu, and type sh to get a Unix shell. In earlier releases, open a SchrodingerShell by double-clicking on its icon in the Schrodinger installation folder (usually C:\Schrodingeryear).

To run phase_shape, at the prompt, type:

phase_shape -shape shape_query -screen source-to-be-screened -JOB jobname -NO_CHECKPOINT

To see the usage and a list of options to the application, type:

phase_shape

Keywords: Phase, shape, Windows, command-line

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