Example

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Example

This example shows how to set up dihedral angle restraints between selected atoms.

restraints dihedral 
       nassign=300
       assign ( resid 1 and name ca ) 
              ( resid 10 and name cb )
              ( resid 4 and name n ) 
              ( resid 8 and name sg ) 20.0  55.0 0.0 2 

       assgin
              ( resid 3 and name hg )
              ( resid 5 and name o )
              ( resid 2 and name cb )
              ( resid 1 and name cg ) 20.0 170.0 0.0 2 
      scale=1.0
end
flags include cdih end

Xplor-NIH 2025-11-07