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Run ReCore Interactively

BioSolveIT Plugins version 2.9.0.0001041 by BioSolveIT GmbH

This node opens LeadIT with the ReCore dialog which can be used interactively to run a ReCore query. The resulting solutions are passed into a table at the output port when ReCore is finished.

There is currently no configure dialog, just run the node to launch ReCore/LeadIT.

The node is an interface to trigger an external ReCore run in LeadIT. The path to the external LeadIT executable has to be configured in
File -> Preferences -> KNIME -> BioSolveIT Settings -> LeadIT
ReCore has to be licensed and installed separately.
The easiest way to install LeadIT is to install the BioSolveIT KNIME binary package for LeadIT.
See http://www.biosolveit.de/LeadIT/ for more details.

Input Ports

Project Data: The predefined Project File data are passed in via this port. Use node "Project Reader (FXX) or "Prepare Receptor with LeadIT" to to provide the Project File data for this port.

Output Ports

Solutions: Table that contains the solutions of the ReCore search. The molecules are written in Mol2 format.

Update Site

To use this node in KNIME, install BioSolveIT Plugins from the following update site:

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