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
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.
Do you have feedback, questions, comments about NodePit, want to support this platform, or want your own nodes or workflows listed here as well? Do you think, the search results could be improved or something is missing? Then please get in touch! Alternatively, you can send us an email to email@example.com, follow @NodePit on Twitter, or chat on Gitter!
Please note that this is only about NodePit. We do not provide general support for KNIME — please use the KNIME forums instead.