ACE Rotation about bonds

Draw a structure, do a 3D minimization (Edit → Clean → 3D → Clean in 3D), and designate a dihedral angle. (If you get this message repeatedly, something is wrong with your input.) The direction of rotation is calculated with the rotatable bond in the front and the reference bond in the rear.
 
 
Enter the numbers of the four atoms defining the dihedral angle, separated by hyphens, colons, or commas. The first three atoms will be fixed; the fourth will move.
 
Enter a dihedral angle (negative or positive) and choose an option. degrees.


Back to public ACE pages.