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Conformational Search

This category contains 4 nodes.

ConfGen

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

MacroModel Conformational Search

Macromodel conformational search using MCMM/LMOD

MacroModel Coordinate Scan

Perform a coordinate scan of one or two coordinates

Prime Macrocycle Sampling

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