rms_util.hh File Reference

#include <devel/init.hh>
#include <core/types.hh>
#include <core/pose/Pose.hh>
#include <core/pose/Pose.fwd.hh>
#include <core/pose/annotated_sequence.hh>
#include <core/pose/util.hh>
#include <core/import_pose/import_pose.hh>
#include <core/chemical/ChemicalManager.hh>
#include <core/scoring/rms_util.tmpl.hh>
#include <iosfwd>
#include <string>
#include <utility/vector1.hh>
#include <utility/string_util.hh>
#include <basic/Tracer.hh>

Macros
#define	apps_pilot_rayyrw_rms_util_hh

Functions
core::Real	cal_distance (core::pose::Pose const &pose1, core::Size const rsd1, core::pose::Pose const &pose2, core::Size const rsd2)
core::Real	cal_distance (core::pose::Pose const &pose, core::Size const resi, core::Size const resj)
void	remove_all_virtual_residues (core::pose::Pose &pose)
core::Real	cal_rmsd (core::pose::Pose &frag_pose, core::pose::Pose &native_frag_pose)
core::Real	nosuper_CA_rmsd (core::pose::Pose pose1, core::Size pos_1, core::pose::Pose pose2, core::Size pos_2)
core::Real	native_frag_CA_RMSD (core::pose::Pose const &native_pose, core::pose::Pose const &frag_pose, core::Size seq_pos)

Variables
static basic::Tracer	tr_rms_util ("rms_util")

Macro Definition Documentation

apps_pilot_rayyrw_rms_util_hh

#define apps_pilot_rayyrw_rms_util_hh

Function Documentation

cal_distance() [1/2]

core::Real cal_distance	(	core::pose::Pose const &	pose,
		core::Size const	resi,
		core::Size const	resj
	)

References erraser_analysis::diff, beta_nonlocal::pose, pna::resi, and basic::options::OptionKeys::cmiles::jumping::resj.

cal_distance() [2/2]

core::Real cal_distance	(	core::pose::Pose const &	pose1,
		core::Size const	rsd1,
		core::pose::Pose const &	pose2,
		core::Size const	rsd2
	)

References erraser_analysis::diff, dist(), test.T008_Serialization::pose1, test.T008_Serialization::pose2, test.T200_Scoring::rsd1, and test.T200_Scoring::rsd2.

Referenced by ClosabilityScore::closability_score(), and soften_clash_check().

cal_rmsd()

core::Real cal_rmsd	(	core::pose::Pose &	frag_pose,
		core::pose::Pose &	native_frag_pose
	)

References remove_all_virtual_residues().

native_frag_CA_RMSD()

core::Real native_frag_CA_RMSD	(	core::pose::Pose const &	native_pose,
		core::pose::Pose const &	frag_pose,
		core::Size	seq_pos
	)

References basic::options::OptionKeys::in::file::fold_tree, docking::native_pose, basic::options::OptionKeys::in::file::residue_type_set, and basic::options::OptionKeys::relax::sequence.

Referenced by get_frag_rmsd().

nosuper_CA_rmsd()

core::Real nosuper_CA_rmsd	(	core::pose::Pose	pose1,
		core::Size	pos_1,
		core::pose::Pose	pose2,
		core::Size	pos_2
	)

References erraser_analysis::diff, natoms(), offset, test.T008_Serialization::pose1, test.T008_Serialization::pose2, sum(), and tr_rms_util.

remove_all_virtual_residues()

void remove_all_virtual_residues

(

core::pose::Pose &

pose

)

References create_a3b_hbs::i, and beta_nonlocal::pose.

Referenced by MinPackMin::backbone_minimization(), cal_rmsd(), main(), MinPackMin::pack_sidechains(), and MinPackMin::rigid_body_minimization().

Variable Documentation

tr_rms_util

basic::Tracer tr_rms_util("rms_util") ( "rms_util"  )

static

Referenced by nosuper_CA_rmsd().