Node Connectivity

There are 3683 nodes that can be used as predessesor for a node with an input port of type Table.

Phase Hypothesis Reader 

Reads Hypotheses

Glide Grid Reader 

Read Glide Grids

Desmond CMS Reader 

Reads in and stores the location of Desmond Composite Model System files

Desmond Trajectory Reader 

Stores the location of Desmond Trajectories

FEP+ Reader 

Reads .fmp and _out.fmp files

2D Sketcher 

Opens 2D Sketcher

Molecule-to-MAE 

Convert Smiles, Mol2, SD or PDB to Maestro

MAE-to-Pdb 

Convert Maestro to PDB format

MAE-to-SD 

Convert Maestro to SD format

MAE-to-Smiles 

Convert Maestro format to canonicalized(unique) SMILES