CoordinateCst.cc File Reference

allows to add coordinate constraints to the pose based on parsed spans or residues residues specified are parsed at runtime not at parse time, so it can be used somewhat used with length changes currently it only adds CA constraints, but hopefully at some time point others too More...

#include <protocols/seeded_abinitio/CoordinateCst.hh>
#include <protocols/seeded_abinitio/CoordinateCstCreator.hh>
#include <core/scoring/constraints/CoordinateConstraint.hh>
#include <core/conformation/Residue.hh>
#include <core/id/AtomID.hh>
#include <core/scoring/func/HarmonicFunc.hh>
#include <core/types.hh>
#include <core/pose/selection.hh>
#include <utility/string_util.hh>
#include <utility/tag/Tag.hh>
#include <iostream>
#include <string>
#include <basic/Tracer.hh>
#include <utility/vector1.hh>
#include <core/pose/Pose.hh>
#include <utility/vector0.hh>
#include <core/kinematics/FoldTree.hh>
#include <utility/tag/XMLSchemaGeneration.hh>
#include <protocols/moves/mover_schemas.hh>

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

Functions
static basic::Tracer	protocols::seeded_abinitio::TR ("protocols.seeded_abinitio.CoordinateCst")
static basic::Tracer	protocols::seeded_abinitio::TR_debug ("CoordinateCst.Debug")
void	protocols::seeded_abinitio::parse_spans (pose::Pose &pose, utility::vector1< std::pair< std::string, std::string > > const span_vector, std::set< core::Size > resi_collection)
	parse residues at run time, in case there was a lenght change More...
utility::vector1< core::Size >	protocols::seeded_abinitio::adjust_residues (pose::Pose &pose, std::string design_residues)
void	protocols::seeded_abinitio::adjust_single_residues (pose::Pose &pose, std::string single_residues, std::set< core::Size > resi_collection)
	residue parsing at runtime More...
void	protocols::seeded_abinitio::add_coordinate_constraints (pose::Pose &pose, std::set< core::Size > const &constrain_residues, core::Size const anchor_resnum, core::Real const coord_sdev, std::string anchor_atom_name, std::string atom_name, core::scoring::func::HarmonicFuncOP &coord_cst_func)

Detailed Description

allows to add coordinate constraints to the pose based on parsed spans or residues residues specified are parsed at runtime not at parse time, so it can be used somewhat used with length changes currently it only adds CA constraints, but hopefully at some time point others too

Author

Eva-Maria Strauch (evas0.nosp@m.1@u..nosp@m.washi.nosp@m.ngto.nosp@m.n.edu)