Node Connectivity
There are 3029 nodes that can be used as successor
for a node with an output port of type 
Table.
Set MAE Index
Maestro cells in KNIME can contain more than one object, whether it is a molecule (i.e., CT), Sequence, or Alignment. The Set MAE Index node sets a […]
Unique Title Check
Checks that each molecule title is unique within the selected column.
Delete MAE Properties
Delete Properties from Maestro CT
Align Binding Sites
This node performs a pairwise superposition of multiple structures using the C-alpha atoms of selected residues.
Protein Structure Alignment
Align Protein structures using SKA
Rotate All
Rotates all structures into a new reference frame
Assign Bond Orders
This node uses assignbondorders.py to assign double and triple bonds to structures in the workspace based on molecular geometry (bond length, bond […]
Ligand Alignment
Align a set of ligand structures flexibly with torsional variation, using the best available method
RMSD
Calculate the RMSD between structures
Generate Unique Smiles
Generate unique SMILES strings for the input structures for the first output, repeated structures are listed in the second output.