Install Scripts Panel

The Install Scripts panel allows you to install Python scripts (including KNIME workflows) so that they appear on the Scripts menu.

To open this panel, choose Scripts → Install.

  • Using
  • Features
  • Additional Resources

The Install Scripts panel stores installed scripts in your Schrödinger user resources area so that you can use them yourself. See Python Commands in Maestro for information on installing scripts for site-wide use. The scripts must be set up so that Maestro can read information from the script itself to construct the menu item and associate it with the appropriate command. For more information, see the Python Module Overview on the Python API web page.

Adding and Formatting Scripts for the Maestro Scripts Menu

To ensure a script is detected and displayed in theScripts menu, it is necessary to include the following two-line header at the very top of the file:

#Name: <Display name as it appears in the Scripts menu>
#Command: pythonrun <scriptfilename>.<functionname>

Example:

#Name: Graphics Test
#Command: pythonrun rotationtest.run

  • The #Command line calls a specific function within the script, not the script itself, so the script needs a callable entry point (e.g., def run():)

  • Drop the .py extension in the #Command line (e.g., rotationtest, not rotationtest.py)

  • The script needs to run under Schrödinger's Python ($SCHRODINGER/run python3) for the Schrödinger modules to be importable

Learn more at Python API: Interacting with Maestro.

NOTE: Scripts generated by Bunsen do not include this header by default. It is necessary to manually add these two header lines to the generated file for Maestro to detect and display the script.

Installing a Script

  1. If necessary, click Browse to find a directory containing Python scripts. The default directory is $HOME on Linux and %USERPROFILE% on Windows.

    Note: all Python scripts should have a .py suffix.

  2. Select a script by clicking its box in the Install column.

    The script name is what appears in the Scripts menu.

  3. Click OK to add the script to the menu.

    If the script already exists in the menu, you are asked if you want to overwrite it. Clicking Yes overwrites the script; clicking No aborts the script installation.

 

Install Scripts Panel Features

Directorytext box and Browse button

The text box displays the directory for selecting scripts to install. The default directory is $HOME on Linux and %USERPROFILE% on Windows.

To choose another directory, edit the text or click Browse and navigate to the directory containing the scripts you want to install.

Script table

This table lists all the scripts available for installation in the current directory. Only the scripts that are set up for installation on the Scripts menu are listed. To choose a script to install, click its box in the Install field. The name of the script, which will appear on the Scripts menu, is listed in the Name column.

Description

Displays a description (if available) of the currently selected script.

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