Vernalis v1.37.0 Release - Changes to PDB Connector Nodes

We have just released v1.37.0 of our community plugin which brings in 1 new nodes, deprecates one node and adds new features to one existing node

NEW Node - PDB Connector Hit Count
This node does exactly what it sounds like - reports the hit count for a query supplied to the input port, and provides many of the same options as the PDB Connector Query Executor node. It also optionally acts as a ‘Query to Table’ node

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Updates to PDB Connector Query Executor
The PDB Connector Query Executor node now has an additional ‘Return Type’ option - ‘Molecular Definitions’ (which will return e.g. PDB Heterogens), and now also the option to return either ‘Experimental’ or ‘Computational’ (or both) result types. ‘Experimental’ corresponds to the previous behavior before this option was added, ‘Computational’ is currently primarily (but not exclusively) AlphaFold models deposited at the PDB. The difference between these two result types is described in more detail at Computed Structure Models and RCSB.org

Deprecated - PDB SMILES Query
This node has now been deprecated. It relied on a remote webservice hosted at https://www.rcsb.org, which was announced in 2020 to be end-of-life, but still running at that time. Thanks to a user who contacted us by email to tell us that the node was no longer working, as the service has now been shutdown. The node has been deprecated and will display a warning message both in the node dialog panel and if an attempt is made to execute the node.

This release is currently available in the Nightly Build and KNIME 5.4 stable channels, and should become available in KNIME 5.3 and 5.2 channels in the next day or two once a couple of minor technical issues with the build server have been resolved.

NB We will no longer be supporting versions 5.1 or earlier.

Yours,

Steve

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This release is now available for KNIME 5.2 and KNIME 5.3

Steve