Adding Diverse Noncanonical Backbones to Rosetta: Enabling Peptidomimetic Design
After conformational changes of an OOP ring, hydrogens are often not in ideal positions. This code calculates a correction factor by determining the angle by which a virtual atom and a carbon atom across a cut point align. The torsion angle that defines the hydrogens movement is altered by this correction factor to properly align the hydrogens. A visual representation can be seen in movie S1.