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HotspotStubSet.hh File Reference
#include <protocols/hotspot_hashing/HotspotStubSet.fwd.hh>
#include <protocols/hotspot_hashing/HotspotStub.fwd.hh>
#include <core/pose/Pose.fwd.hh>
#include <core/scoring/ScoreFunction.fwd.hh>
#include <core/scoring/TenANeighborGraph.fwd.hh>
#include <core/pack/task/PackerTask.fwd.hh>
#include <core/conformation/Residue.fwd.hh>
#include <core/id/AtomID.fwd.hh>
#include <core/scoring/constraints/Constraint.fwd.hh>
#include <protocols/filters/Filter.fwd.hh>
#include <core/types.hh>
#include <utility/VirtualBase.hh>
#include <utility/pointer/owning_ptr.fwd.hh>
#include <utility/exit.hh>
#include <map>
#include <vector>
#include <set>
#include <utility/vector1.hh>
#include <utility/io/ozstream.fwd.hh>

Classes

class  protocols::hotspot_hashing::HotspotStubSet
 

Namespaces

 protocols
 The instance of Loops contained by AbrelaxApplication should be replaced by a LoopsOP.
 
 protocols::hotspot_hashing
 

Functions

core::scoring::constraints::ConstraintCOPs protocols::hotspot_hashing::remove_hotspot_constraints_from_pose (core::pose::Pose &)
 utility function for deleting all backbone stub constraints from a pose. Returns the removed constraints (ambiguous). More...
 
core::Real protocols::hotspot_hashing::residue_sc_rmsd_no_super (core::conformation::ResidueCOP res1, core::conformation::ResidueCOP res2, bool const fxnal_group_only=false)
 utility function to calculate per-residue sidechain rmsd without superposition More...
 
core::Real protocols::hotspot_hashing::stub_tgt_angle (core::pose::Pose const &pose, core::conformation::ResidueCOP stub, core::Size const target_res)
 utility function to make sure stub's Cbeta is not pointed away from the target. Returns true if stub is pointed generally towards target's center of mass. Returns false otherwise. algorithm: get vector between CA and target center of mass, then CA-CB vector. Check alignment between the two. doesn't take into account hotspots at the end of the pose so might be a little off in CoM. But probably pretty OK More...
 

Detailed Description

Author
John Karanicolas, Jacob Corn (jecor.nosp@m.n@u..nosp@m.washi.nosp@m.ngto.nosp@m.n.edu), Sarel Fleishman