Identifying the Schrödinger Software Installation to KNIME
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1.
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Start KNIME, if it is not already running. |
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2.
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Choose File → Preferences. |
The Preferences panel opens.
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3.
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Under KNIME, choose Schrodinger. |
The Schrodinger preferences are displayed. There are two environment variables that you can set: SCHRODINGER, and PYMOL4MAESTRO. If either of the fields for these environment variables is unavailable (grayed out), then KNIME has picked up the variable from the environment, and you do not need to set it. There should be a message telling you that KNIME has done this. If you want to set it in the KNIME preferences, you should unset it in your environment and then start KNIME and set it.
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4.
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Enter the path to the Schrödinger installation in the SCHRODINGER text box. |
The default paths are:
- Windows:
C:\Program Files\Schrodinger-2026-1 (or, for 32-bit software on a 64-bit OS, C:\Program Files(x86)\Schrodinger-2026-1)
- Mac:
/opt/schrodinger/suites2026-1
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5.
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If you want to start PyMol from KNIME, enter the path to the PyMol installation in the PYMOL4MAESTRO text box. |
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6.
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Restart KNIME to start using the Schrödinger nodes. |