Node Connectivity

There are 3042 nodes that can be used as successor for a node with an output port of type Table.

MacroModel Minimization 

Minimize molecules using MacroModel

Impref 

Runs the refinement stage of protein preparation.

MacroModel Coordinate Scan 

Perform a coordinate scan of one or two coordinates

MacroModel Conformational Search 

Macromodel conformational search using MCMM/LMOD

ConfGen 

Search for ligand conformations like those found in ligand-receptor complexes, with optional minimization of output structures.

Prime Macrocycle Sampling 

Sample the conformations of a ligand-sized structure that contains macrocycles.

MacroModel Single Point Energy 

Calculate the energy of a molecule using MacroModel

Conformer Cluster 

Conformer Cluster

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.