peptidomimetic_ensembles.cc File Reference

#include <devel/init.hh>
#include <core/types.hh>
#include <core/io/carbohydrates/pose_io.hh>
#include <core/pose/Pose.hh>
#include <core/pose/util.hh>
#include <core/pose/ncbb/util.hh>
#include <core/pose/annotated_sequence.hh>
#include <core/import_pose/import_pose.hh>
#include <core/kinematics/MoveMap.hh>
#include <core/id/TorsionID.hh>
#include <core/scoring/rms_util.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/ScoreFunctionFactory.hh>
#include <core/chemical/ChemicalManager.hh>
#include <protocols/simple_moves/BackboneMover.hh>
#include <protocols/minimization_packing/MinMover.hh>
#include <protocols/moves/TrialMover.hh>
#include <protocols/moves/RepeatMover.hh>
#include <protocols/moves/MoverContainer.hh>
#include <protocols/moves/MonteCarlo.hh>
#include <protocols/rigid/RigidBodyMover.hh>
#include <protocols/docking/DockingInitialPerturbation.hh>
#include <protocols/docking/util.hh>
#include <utility/vector1.hh>
#include <utility/vector1.functions.hh>
#include <numeric/random/random.hh>
#include <numeric/xyzVector.hh>
#include <iostream>
#include <basic/options/keys/in.OptionKeys.gen.hh>
#include <basic/options/keys/out.OptionKeys.gen.hh>
#include <protocols/ncbb/oop/OopCreatorMover.hh>
#include <protocols/ncbb/oop/OopRandomSmallMover.hh>

Namespaces
	peptidomimetic_ensembles

Functions
bool	margin (core::Real val, core::Real comp, core::Real range)
void	gradual_minimization (Pose &pose, MinMoverOP min, ScoreFunctionOP sfxn)
int	main (int argc, char *argv[])

Variables
static basic::Tracer	TR ("PeptidomimeticEnsembles")
StringOptionKey const	peptidomimetic_ensembles::mimetic_sequence ("peptidomimetic_ensembles::mimetic_sequence")
BooleanOptionKey const	peptidomimetic_ensembles::cartesian_min ("peptidomimetic_ensembles::cartesian_min")

Function Documentation

gradual_minimization()

void gradual_minimization	(	Pose &	pose,
		MinMoverOP	min,
		ScoreFunctionOP	sfxn
	)

References min(), beta_nonlocal::pose, test.T120_core::sfxn, and orn_macrocycle::wt.

Referenced by main().

main()

int main	(	int	argc,
		char *	argv[]
	)

References utility::arg_min(), argv, peptidomimetic_ensembles::cartesian_min, utility::io::oc::cout, test.T009_Exceptions::e, gradual_minimization(), create_a3b_hbs::i, basic::init(), create_a3b_hbs::j, peptidomimetic_ensembles::mimetic_sequence, out::nstruct(), option, vancomycin::pert_mm, beta_nonlocal::pose, basic::options::OptionKeys::mp::assembly::poses, lactamize::residue_set_cap, numeric::random::rg(), legacy_score_vs_rmsd::rmsds, beta_nonlocal::score_fxn, legacy_score_vs_rmsd::scores, beta_sc_scan::seq, subloop_histogram::size, numeric::random::uniform(), and value.

margin()

bool margin	(	core::Real	val,
		core::Real	comp,
		core::Real	range
	)

References comp(), and range.

Variable Documentation

TR

basic::Tracer TR("PeptidomimeticEnsembles") ( "PeptidomimeticEnsembles"  )

static