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KNIME-Maestro connector node use-cases

IOPrimeMaestro commandsScripting
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Dec 2, 2014 2:39 PM
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Uses the KNIME-Maestro connector (replacing the Run Maestro 1:1 metanode) to alter some structures in the middle of a workflow, pick residues to sample in a binding site. [Requires: Prime optionally] [Keyworks: Maestro commands, scripting] Find other applications in the following workflow examples: - General – Python script, Molecular Mechanics – Conformational search and Molecular Dynamics – Simulation (atom selection for distance measurement) - Quantum Mechanics – Conformational search (dihedral angle selection) - Library design – Library enumeration (core attachment point selection) - Docking – Validate parameters – KNIME-Maestro connectors (initial mode: existing Maestro session) - General - Run Maestro commands - Use again the same Maestro session to run commands (using KNIME_maestro_connector.send)
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Used extensions & nodes

Created with KNIME Analytics Platform version 4.1.0 Note: Not all extensions may be displayed.
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    KNIME CoreTrusted extension

    KNIME AG, Zurich, Switzerland

    Version 4.0.1

    knime
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    Schrödinger Extensions for KNIMETrusted extension

    Schrödinger

    Version 20.1.4

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    schroedinger

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