pose_manipulation.cc File Reference

some general functions to manipulate poses. feel free to add your own More...

#include <protocols/toolbox/pose_manipulation/pose_manipulation.hh>
#include <core/chemical/ChemicalManager.hh>
#include <core/chemical/ResidueType.hh>
#include <core/chemical/ResidueTypeSet.hh>
#include <core/chemical/ResidueProperties.hh>
#include <core/chemical/util.hh>
#include <core/conformation/Residue.hh>
#include <core/conformation/Conformation.hh>
#include <core/kinematics/MoveMap.hh>
#include <core/kinematics/FoldTree.hh>
#include <core/kinematics/util.hh>
#include <core/pose/Pose.hh>
#include <core/scoring/Energies.hh>
#include <core/scoring/rms_util.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/id/AtomID_Map.hh>
#include <protocols/simple_moves/MinMover.hh>
#include <protocols/simple_moves/BackboneMover.hh>
#include <protocols/simple_moves/ReturnSidechainMover.hh>
#include <protocols/simple_moves/SwitchResidueTypeSetMover.hh>
#include <protocols/moves/MonteCarlo.hh>
#include <protocols/loops/loop_closure/ccd/CCDLoopClosureMover.hh>
#include <protocols/loops/Loops.hh>
#include <basic/Tracer.hh>
#include <core/types.hh>
#include <core/chemical/VariantType.hh>
#include <core/pose/util.hh>
#include <utility/vector1.hh>
#include <core/pose/util.tmpl.hh>

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

Functions
static thread_local basic::Tracer	protocols::toolbox::pose_manipulation::TR ("protocols.toolbox.pose_manipulation")
static thread_local basic::Tracer	protocols::toolbox::pose_manipulation::TR_DI ("protocols.toolbox.pose_manipulation.insert_pose_into_pose")
void	protocols::toolbox::pose_manipulation::construct_poly_ala_pose (core::pose::Pose &pose, utility::vector1< core::Size > const &positions, bool keep_pro, bool keep_gly, bool keep_disulfide_cys)
	puts in ala residues at the positions specified in the 'positions' input array More...
void	protocols::toolbox::pose_manipulation::construct_poly_uniq_restype_pose (core::pose::Pose &pose, utility::vector1< core::Size > const &positions, core::chemical::ResidueType const &restype, bool keep_pro, bool keep_gly, bool keep_disulfide_cys)
	allows construction of a polymer of any residue type More...
void	protocols::toolbox::pose_manipulation::construct_poly_XXX_pose (std::string const &aa, core::pose::Pose &pose, utility::vector1< core::Size > const &positions, bool keep_pro, bool keep_gly, bool keep_disulfide_cys)
	puts in XXX residues at the positions specified in the 'positions' input array More...
void	protocols::toolbox::pose_manipulation::remove_non_protein_residues (core::pose::Pose &pose)
	deletes all nonprotein residues from a pose More...
void	protocols::toolbox::pose_manipulation::add_chainbreaks_according_to_jumps (core::pose::Pose &pose)
	adds chainbreak residue types depending on fold tree jumps More...
void	protocols::toolbox::pose_manipulation::add_chainbreaks_according_to_jumps (core::pose::Pose &pose, utility::vector1< core::Size > const &no_cutpoint_residues)
void	protocols::toolbox::pose_manipulation::remove_chainbreaks_according_to_jumps (core::pose::Pose &pose)
	removes chainbreak residue types depending on fold tree jumps More...
core::Real	protocols::toolbox::pose_manipulation::superimpose_pose_on_subset_CA (core::pose::Pose &pose, core::pose::Pose const &ref_pose, utility::vector1< core::Size > const &positions, int const offset=0)
	superimposes one pose onto the other at the positions specified and More...

Detailed Description

some general functions to manipulate poses. feel free to add your own

if you add your own, please mention your name:)

Author

Florian Richter, flori.nosp@m.c@u..nosp@m.washi.nosp@m.ngto.nosp@m.n.edu