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Rosetta 3.5
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Rosetta 3.5
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This class is used to detect collisions between the upstream residues and filter out matches that have too much collision. It can perform either hard-sphere collision detection, or score-function (Etable) driven collision detection. Four command-line flags are read by the MatcherTask to initialize this class: match::filter_colliding_upstream_residues match::upstream_residue_collision_tolerance match::upstream_residue_collision_score_cutoff match::upstream_residue_collision_Wfa_atr match::upstream_residue_collision_Wfa_rep match::upstream_residue_collision_Wfa_sol. More...
#include <UpstreamCollisionFilter.hh>
Public Types | |
| typedef core::Real | Real |
| typedef MatchCollisionFilter | parent |
 Public Types inherited from protocols::match::output::MatchCollisionFilter | |
| typedef core::Real | Real |
Additional Inherited Members | |
| Protected Attributes inherited from protocols::match::output::MatchCollisionFilter | |
| UpstreamHitCacherOP | cacher_ |
This class is used to detect collisions between the upstream residues and filter out matches that have too much collision. It can perform either hard-sphere collision detection, or score-function (Etable) driven collision detection. Four command-line flags are read by the MatcherTask to initialize this class: match::filter_colliding_upstream_residues match::upstream_residue_collision_tolerance match::upstream_residue_collision_score_cutoff match::upstream_residue_collision_Wfa_atr match::upstream_residue_collision_Wfa_rep match::upstream_residue_collision_Wfa_sol.
| protocols::match::output::UpstreamCollisionFilter::UpstreamCollisionFilter | ( | std::string | filter_name, |
| UpstreamHitCacherOP | coordinate_cacher | ||
| ) |
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virtual |
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virtual |
Returns true if the given match does not contain too much residue-pair collision.
Either sphere-overlap checks the atom pairs in the match residues, or evaluates the Etable energies. Returns false if any atom pair collides more than the cutoff threshold or if the residue pair energy exceeds the energy cutoff. Returns true otherwise.
Implements protocols::match::output::MatchCollisionFilter.
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virtual |
Returns true if the given match does not contain too much residue-pair collision.
Implements protocols::match::output::MatchCollisionFilter.
References protocols::match::output::MatchCollisionFilter::cacher_, protocols::match::output::MatchCollisionFilter::empty_pose(), protocols::match::output::MatchCollisionFilter::empty_sfxn(), protocols::match::output::MatchCollisionFilter::etable_energy(), core::scoring::fa_atr, core::scoring::fa_rep, core::scoring::fa_sol, protocols::match::fake_hit(), protocols::match::output::MatchCollisionFilter::filter_by_lj(), protocols::match::output::MatchCollisionFilter::lj_cutoff(), passes_hardsphere_filter(), protocols::match::match_dspos1::upstream_hits, protocols::match::output::MatchCollisionFilter::wfa_atr(), protocols::match::output::MatchCollisionFilter::wfa_rep(), and protocols::match::output::MatchCollisionFilter::wfa_sol().
| bool protocols::match::output::UpstreamCollisionFilter::passes_hardsphere_filter | ( | core::Size | geomcst_a, |
| core::Size | geomcst_b, | ||
| Hit const & | upstream_hit_a, | ||
| Hit const & | upstream_hit_b | ||
| ) | const |
References protocols::match::output::MatchCollisionFilter::cacher_.
Referenced by passes_filter().
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inline |
References core::conformation::Residue::atom_type_index(), protocols::match::output::MatchCollisionFilter::bump_grid(), core::conformation::Residue::first_sidechain_atom(), core::conformation::Residue::nheavyatoms(), protocols::match::probe_radius_for_atom_type(), and core::conformation::Residue::xyz().
1.8.4