Update to v1.26.0 (Includes v1.25.0) - New templated conformer generation nodes, PDB Connector updates

This update rolls two updates into one, as some of the bugs fixed in 1.26.0 stopped us passing all tests on 1.25.0.

v1.26.0

  • Bug-fixes and minor enhancements to PDB Connector family of nodes:
    • Fixed broken date query fields (Deposition Date, Release Date,
      Revision Date)
    • Added searches for Entity IDs, Chain IDs, Uniprot Gene Names (This will require saved workflows to be opened and and PDB Connector / PDB Connector Query Builder nodes to be manually reconfigured - this should require nothing more than opening and closing the node configuration dialog!)
    • Fixed slow mouse scroll speed

v1.25.0

New Nodes

  • Templated Conformer Generation (RDKit)
  • Force Field Conformer Energies
  • RMSD Conformer List Filter

Enhancements

  • Added DialogComponentMultilineStringFlowvar to core plugin
  • Added SettingsModelMultilineString to core plugin

Bug Fixes

  • Force requirement of RDKit v4.0.0
  • Fixed bug in inject column properties node causing IndexOutOfBoundsException to be thrown if < 3 input columns present in the 2nd table
  • Fixed bug in which PDB Connector Custom Report node overwrites xmlQuery flow variable.
    This bug causes crashes in KNIME 4.1 due to changes in flow variable handling

Currently only on the nightly build, we plan to move this over to 4.1, 4.0 and possible 3.7 stable builds later this week.

NB We have become aware of some instabilities in the RCSB PDB RESTful search service in recent days. We are beginning to work towards using the new webservices which are currently in their beta-release version, but this will require a pretty much complete re-write of the PDB Connector nodes.

Yours,

Steve

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This update is now available in the stable versions (4.1, 4.0 and 3.7) in addition to the nightly builds.

Steve

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