This node can connect to Maestro (either started automatically or to a running instance) and can exchange structures.
Input plus Output - The input columns are included in the output.
Output replaces Input - The output columns are the same as the input, with the output structures replacing the input column selected
Output only - Only Output structures
Existing Maestro Session - In this mode, the node can connect to an existing Maestro session where the Maestro side server is already running. This server can be started by opening "Establish Structure Exchange with KNIME..." and clicking on "Start".
For all other modes below, Maestro will be started automatically by this node followed by starting the server too.
All entries - Sends all the Project Table entries back to KNIME
Selected entries - Sends only the selected Project Table entries back to KNIME
Atom selection (as List) - Sends the atom selection in workspace as a list to KNIME
Atom selection (as Names) - Sends the atom selection in workspace as names to KNIME
Atom selection (as ASL) - Sends the atom selection in workspace as ASL to KNIME
Atom selection (as SMARTS) - Sends the atom selection in workspace as SMARTS to KNIME
Residue selection (as List) - Sends the residue selection in workspace as a List to KNIME
Residue selection (as ASL) - Sends the residue selection in workspace as ASL to KNIME
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To use this node in KNIME, install the extension Schrödinger Extensions for KNIME from the below update site following our NodePit Product and Node Installation Guide:
A zipped version of the software site can be downloaded here.
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