Performes a torsion scan for the input and a reference molecule for a defined dihedral using MacroModel and returns the energy profile. To define the dihedral, a smarts pattern shared by the submitted structures must be supplied, as well as 4 smarts index that define the dihedral within the supplied pattern. (Please note the SMARTS Index Identifier panel in Maestro to get the index numbers for a smarts pattern)
Used extensions & nodes
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