OmegaTether.cc File Reference

OmegaTether potential class implementation. More...

#include <core/scoring/OmegaTether.hh>
#include <core/pose/Pose.hh>
#include <core/id/types.hh>
#include <basic/basic.hh>
#include <numeric/angle.functions.hh>
#include <numeric/constants.hh>
#include <numeric/MathMatrix.hh>
#include <numeric/interpolation/spline/CubicSpline.fwd.hh>
#include <utility/io/izstream.hh>
#include <core/conformation/Residue.hh>
#include <utility/vector1.hh>
#include <ObjexxFCL/FArray2D.hh>
#include <basic/database/open.hh>
#include <basic/options/option.hh>
#include <basic/options/keys/corrections.OptionKeys.gen.hh>
#include <basic/options/keys/score.OptionKeys.gen.hh>
#include <basic/options/keys/OptionKeys.hh>

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

Detailed Description

OmegaTether potential class implementation.

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. In the case of polyaramids, it constrains omega (which is torsion 4-6 depending) 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.

Andy Watkins (amw57.nosp@m.9@st.nosp@m.anfor.nosp@m.d.ed.nosp@m.u) – updated for polyaramids