This node assesses the affinity of a protein-ligand complex with
Hyde in SeeSAR, given a library table with molecules in sdf or mol2
format, and a protein table with entries in pdb format.
The SeeSAR-Hyde score and the assessment details will be sent to the
output port.
SeeSAR has to be licensed separately, see
http://www.biosolveit.de/SeeSAR/ for more details.
You want to see the source code for this node? Click the following button and we’ll use our super-powers to find it for you.
To use this node in KNIME, install the extension BioSolveIT SeeSAR for Knime from the below update site following our NodePit Product and Node Installation Guide:
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