Node Connectivity
There are 3029 nodes that can be used as successor
for a node with an output port of type 
Table.
Desmond System Builder
The System Builder panel allows you to set up a biological system consisting of proteins, ligands, explicit solvent, membrane, and counter ions, so […]
Desmond Molecular Dynamics
Set up and run Desmond molecular dynamics simulations.
Desmond Trajectory Extract Frames
Extract frames from the specified Desmond trajectory directory.
Desmond Trajectory Manipulation
Copy, move and delete Desmond Trajectory files and directories.
FEP+ Parser
Analyze FEP calculations for the relative binding affinities of a set of congeneric ligands to a target.
Jaguar Single Point Energy
Calculate the energy of a molecule using Quantum Mechanics
Jaguar Minimization
Minimize molecules using Quantum Mechanics
Jaguar NMR Shielding Constants
Calculate NMR shielding constants by running a Jaguar single point energy calculation with the NMR option turned on (keyword nmr=1).
Jaguar Charges
Calculate charges by fitting Electrostatic Potential Charges (ESP) to atom centers.
MOPAC
Set up and run a semiempirical calculation on one or more structures using the MOPAC code