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.