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.