#include <RotamerLibrary.hh>
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| virtual | ~SingleResidueRotamerLibrary () |
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| virtual Real | rotamer_energy_deriv (conformation::Residue const &rsd, RotamerLibraryScratchSpace &scratch) const =0 |
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| virtual Real | rotamer_energy (conformation::Residue const &rsd, RotamerLibraryScratchSpace &scratch) const =0 |
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| virtual Real | best_rotamer_energy (conformation::Residue const &rsd, bool curr_rotamer_only, RotamerLibraryScratchSpace &scratch) const =0 |
| | Returns the energy of the lowest-energy rotamer accessible to the given residue (based on e.g. its current phi and psi values). If curr_rotamer_only is true, then consider only the idealized version of the residue's current rotamer (local optimum); otherwise, consider all rotamers (global optimum). More...
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| virtual void | assign_random_rotamer_with_bias (conformation::Residue const &rsd, RotamerLibraryScratchSpace &scratch, numeric::random::RandomGenerator &RG, ChiVector &new_chi_angles, bool perturb_from_rotamer_center) const =0 |
| | Pick a rotamer for the input residue according to the rotamer probability distribution and assign chi angles to the input rsd. If perturb_from_rotamer_center is true, then push the rotamer off from the center; for chi angles with a normal distribution, the perturbation is taken from a Gaussian random number with a standard deviation matching the chi angle's standard deviation. For chi angles that are not normally distributed, the behavior is open to the derived classe's interpretation. More...
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| virtual void | fill_rotamer_vector (pose::Pose const &pose, scoring::ScoreFunction const &scorefxn, pack::task::PackerTask const &task, graph::GraphCOP packer_neighbor_graph, chemical::ResidueTypeCOP concrete_residue, conformation::Residue const &existing_residue, utility::vector1< utility::vector1< Real > > const &extra_chi_steps, bool buried, RotamerVector &rotamers) const =0 |
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| virtual void | write_to_file (utility::io::ozstream &out) const =0 |
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Definition at line 109 of file RotamerLibrary.hh.
| core::pack::dunbrack::SingleResidueRotamerLibrary::~SingleResidueRotamerLibrary |
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| virtual void core::pack::dunbrack::SingleResidueRotamerLibrary::write_to_file |
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utility::io::ozstream & |
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The documentation for this class was generated from the following files:
1.8.4