Node Connectivity

There are 5113 nodes that can be used as predessesor for a node with an input port of type Generic Port.

Python Script 2:1 

Executes a Python script which has access to all Schrodinger python libraries, taking 2 input tables and returning 1 output table.

Python Script 2:2 

Executes a Python script which has access to all Schrodinger python libraries, taking 2 input tables and returning 2 output tables.

Compare Ligand Sets 

Compares and writes a file that contains a subset of structures in file1 and file2, depending on the selected mode

Lookup and Add Columns 

This node uses a column in the first input as a key to lookup data and concatenate either one or all columns from the matching second input row.

Group MAE 

This node allows a column of Maestro, Sequence, or Alignment type to be "collapsed" or grouped by another column.

Ungroup MAE 

Expand Maestro cells

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.

Split by Structure 

Split structures by chain, molecule, or residue.

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