This category is currently not available in KNIME v5.4 — instead we’re showing this page for KNIME v5.2. 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.

Structure Manipulation

This category contains 4 nodes.

Add Hydrogens

Adds hydrogen atoms to produce an all-atom structure.

Delete Atoms

Delete atoms from a structure file, based on a Maestro ASL expression.

Extract Atom/bond Properties

This node takes in structures in Maestro, Sdf and Mol2 formats and outputs the properties for the CTs, Atoms, and Bonds into three different output tables

Split by Structure

Split structures by chain, molecule, or residue.