Structure Manipulation

This category contains 4 nodes.

IconAdd Hydrogens Source

Adds hydrogen atoms to produce an all-atom structure.

IconDelete Atoms Source

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

IconExtract Atom/bond Properties Source

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

IconSplit by Structure Source

Split structures by chain, molecule, or residue.