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util_functions.cc File Reference

bunch of utility functions More...

#include <protocols/toolbox/match_enzdes_util/util_functions.hh>
#include <protocols/toolbox/match_enzdes_util/EnzdesCacheableObserver.hh>
#include <protocols/toolbox/match_enzdes_util/EnzdesCstCache.hh>
#include <basic/Tracer.hh>
#include <core/types.hh>
#include <core/chemical/ResidueType.hh>
#include <core/conformation/Residue.hh>
#include <core/conformation/Conformation.hh>
#include <core/id/AtomID.hh>
#include <core/kinematics/AtomTree.hh>
#include <core/kinematics/tree/Atom.hh>
#include <core/pose/Pose.hh>
#include <core/scoring/constraints/BoundConstraint.hh>
#include <core/scoring/constraints/AmbiguousConstraint.hh>
#include <core/scoring/constraints/CoordinateConstraint.hh>
#include <core/scoring/constraints/BackboneStubConstraint.hh>
#include <core/scoring/constraints/MultiConstraint.hh>
#include <utility/string_util.hh>
#include <map>

Namespaces

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

Functions

static basic::Tracer protocols::toolbox::match_enzdes_util::tr ("protocols.toolbox.match_enzdes_util.util_functions")
 
void protocols::toolbox::match_enzdes_util::replace_residue_keeping_all_atom_positions (core::pose::Pose &pose, core::conformation::Residue new_res, core::Size res_pos)
 
core::scoring::constraints::AmbiguousConstraintCOP protocols::toolbox::match_enzdes_util::constrain_pose_res_to_invrots (std::list< core::conformation::ResidueCOP > const &invrots, utility::vector1< core::Size > const &seqpos, core::pose::Pose const &pose, core::scoring::func::FuncOP constraint_func=nullptr)
 fowarding function for function below More...
 
core::scoring::constraints::AmbiguousConstraintCOP protocols::toolbox::match_enzdes_util::constrain_pose_res_to_invrots (std::list< core::conformation::ResidueCOP > const &invrots, utility::vector1< core::Size > const &seqpos, core::pose::Pose const &pose, core::id::AtomID const &fixed_pt, core::scoring::func::FuncOP constraint_func=nullptr)
 constraints each invrot to the backbone of each seqpos and throws all those constraints into one ambiguous constraint. More...
 
core::conformation::ResidueCOP protocols::toolbox::match_enzdes_util::cst_residue_in_pose (core::pose::Pose const &pose, core::Size geomcst, core::Size geomcst_template_res)
 convenience function that returns a residue of the desired cst interaction in case there are no constraints in the pose, returns null pointer More...
 
std::string protocols::toolbox::match_enzdes_util::assemble_remark_line (std::string const &chainA, std::string const &resA, int seqposA, std::string const &chainB, std::string const &resB, int seqposB, core::Size cst_block, core::Size ex_geom_id)
 
bool protocols::toolbox::match_enzdes_util::split_up_remark_line (std::string line, std::string &chainA, std::string &resA, int &seqposA, std::string &chainB, std::string &resB, int &seqposB, core::Size &cst_block, core::Size &ex_geom_id)
 
core::Size protocols::toolbox::match_enzdes_util::get_first_protein_residue (core::pose::Pose const &pose)
 
core::Size protocols::toolbox::match_enzdes_util::get_last_protein_residue (core::pose::Pose const &pose)
 
utility::vector1< core::chemical::ResidueTypeCOPprotocols::toolbox::match_enzdes_util::sort_residue_type_pointers_by_name (utility::vector1< core::chemical::ResidueTypeCOP > const &restype_temp_set)
 

Detailed Description

bunch of utility functions

Author
Florian Richter, flori.nosp@m.c@u..nosp@m.washi.nosp@m.ngto.nosp@m.n.edu @modified Tom Linsky, tlins.nosp@m.ky@u.nosp@m.w.edu