Tripeptide_loop_closure

Here you should put an abstract of your package Reference Manual – User Manual . Authors: F. Cazals and T.O'Donnell

Main classes:

• T_TLC_solver : Computes the backbone coordinates of solutions to the Tripeptide loop closure with only phi and psi bond angles changing in internal coordinates.

• T_TLC_polynomial : Converts the Tripeptide contraints given to a 16th degree polynomial.

• T_TLC_polynomial_solver_interface : Interface to the CGAL polynomial solver using Algebraic Number types.

• T_TLC_polynomial_roots_to_embedings : Converts polynomial roots to embeddings using values defined in T_TLC_polynomial.

• T_Tripeptide_anchors : Anchor atoms around the moving atoms for the tripeptide loop closure.

• T_Tripeptide_constraints : Constraints used to solve the tripeptide loop closure.

• Contants_for_embedding : Values obtained when converting constraints to polynomial coefficients and used once more to convert roots to cartesian embeddings of solution in tripeptide loop closure.