This category is currently not available in KNIME v5.9 — instead we’re showing this page for KNIME v5.7. You can use the version menu in the title bar to permanently switch your preferred version. This will also show the link to the update site.

Molecular Dynamics

This category contains 4 nodes.

Desmond Molecular Dynamics

Set up and run Desmond molecular dynamics simulations.

Desmond System Builder

The System Builder panel allows you to set up a biological system consisting of proteins, ligands, explicit solvent, membrane, and counter ions, so […]

Desmond Trajectory Extract Frames

Extract frames from the specified Desmond trajectory directory.

Desmond Trajectory Manipulation

Copy, move and delete Desmond Trajectory files and directories.