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Rosetta
2021.16
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#include <core/types.hh>#include <core/pose/Pose.fwd.hh>#include <core/scoring/hbonds/types.hh>#include <core/scoring/etable/Etable.fwd.hh>#include <core/energy_methods/ExactOccludedHbondSolEnergy.hh>#include <map>Namespaces | |
| core | |
| A class for reading in the atom type properties. | |
| core::energy_methods | |
Functions | |
| void | core::energy_methods::add_to_individual_sol_energies (pose::Pose &input_pose, core::Size const polar_resnum, core::Size const polar_atomno, core::scoring::etable::EtableOP etable_ptr, GridInfo const &grid_info, core::Real const &grid_constant, std::vector< std::vector< std::vector< core::Real > > > const &water_weights, std::vector< std::vector< std::vector< bool > > > &occluded_sites, bool const hydrogens_can_occlude, bool const pairwise_additive, bool const pairwise_additive_output, utility::vector1< core::Real > &residue_energies) |
| core::Real | core::energy_methods::compute_exact_geosol (pose::Pose &input_pose, bool const hydrogens_can_occlude, bool const pairwise_additive, bool const pairwise_additive_output, utility::vector1< core::Real > &residue_energies) |
1.8.7