OmegaTether.hh File Reference

OmegaTether potential class delcaration. More...

#include <core/scoring/OmegaTether.fwd.hh>
#include <core/types.hh>
#include <core/pose/Pose.fwd.hh>
#include <utility/VirtualBase.hh>
#include <iosfwd>
#include <core/chemical/AA.hh>
#include <core/conformation/Residue.fwd.hh>
#include <utility/vector1.hh>
#include <ObjexxFCL/FArray2D.hh>
#include <numeric/interpolation/spline/BicubicSpline.hh>

Classes
class	core::scoring::OmegaTether

Namespaces
	core
	A class for reading in the atom type properties.
	core::scoring

Detailed Description

OmegaTether potential class delcaration.

This potential constrains the inter-residue torsion (omega) to be 0 or 180 degrees. It works for alpha-amino acids, beta-amino acids, and oligoureas. In the case of oligoureas, it constrains both omega and mu (the preceding torsion) to be 180.

Author

Andrew Leaver-Fay (leave.nosp@m.rfa@.nosp@m.email.nosp@m..unc.nosp@m..edu)

Vikram K. Mulligan (vmull.nosp@m.ig@u.nosp@m.w.edu) – updated for oligoureas and beta-amino acids.