hydrate.cc File Reference

#include <devel/init.hh>
#include <core/import_pose/import_pose.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/ScoreFunctionFactory.hh>
#include <core/pose/Pose.hh>
#include <core/pack/task/TaskFactory.hh>
#include <core/pack/task/operation/TaskOperations.hh>
#include <core/pack/task/PackerTask.hh>
#include <core/pack/pack_rotamers.hh>
#include <basic/Tracer.hh>
#include <basic/options/option.hh>
#include <basic/options/keys/in.OptionKeys.gen.hh>
#include <basic/options/keys/packing.OptionKeys.gen.hh>
#include <core/conformation/Residue.hh>
#include <core/chemical/AtomType.hh>
#include <numeric/xyz.functions.hh>
#include <core/kinematics/Stub.hh>
#include <core/conformation/ResidueFactory.hh>
#include <core/kinematics/FoldTree.hh>
#include <core/id/AtomID.hh>
#include <core/kinematics/Edge.hh>
#include <numeric/xyzVector.hh>
#include <numeric/xyzMatrix.hh>
#include <numeric/HomogeneousTransform.hh>
#include <core/chemical/ResidueType.hh>

Functions
void	place_water_acceptor (core::conformation::Residue const &rsd2, core::Size const accpt_atm, core::Real distance, core::Real LP_deg, core::Real tp5_about_acceptor_deg, core::Real tp5_about_hbond_deg, core::pose::Pose &pose)
void	place_water_donor (core::conformation::Residue const &rsd2, core::Size const don_atm, core::Real distance, core::Real tp5_about_don_deg, core::pose::Pose &pose)
int	main (int argc, char *argv[])

Variables
static basic::Tracer	TR ("hydrate")

Function Documentation

main()

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

References argv, basic::init(), basic::options::option, place_water_acceptor(), place_water_donor(), beta_nonlocal::pose, pyrosetta.distributed.io::pose_from_file, basic::options::OptionKeys::packing::resfile, test.T200_Scoring::rsd2, basic::options::OptionKeys::in::file::s, TR, basic::options::OptionKeys::inout::dbms::user, and utility_exit_with_message.

place_water_acceptor()

void place_water_acceptor	(	core::conformation::Residue const &	rsd2,
		core::Size const	accpt_atm,
		core::Real	distance,
		core::Real	LP_deg,
		core::Real	tp5_about_acceptor_deg,
		core::Real	tp5_about_hbond_deg,
		core::pose::Pose &	pose
	)

References loops::cutpoint, build_jacobian::distance, create_a3b_hbs::ii, beta_nonlocal::pose, numeric::product(), basic::options::OptionKeys::in::file::residue_type_set, test.T200_Scoring::rsd2, stub(), numeric::x_rotation_matrix_degrees(), and numeric::z_rotation_matrix_degrees().

Referenced by main().

place_water_donor()

void place_water_donor	(	core::conformation::Residue const &	rsd2,
		core::Size const	don_atm,
		core::Real	distance,
		core::Real	tp5_about_don_deg,
		core::pose::Pose &	pose
	)

References loops::cutpoint, build_jacobian::distance, create_a3b_hbs::ii, basic::options::OptionKeys::ProQ::normalize, beta_nonlocal::pose, numeric::product(), basic::options::OptionKeys::in::file::residue_type_set, test.T200_Scoring::rsd2, stub(), and numeric::x_rotation_matrix_degrees().

Referenced by main().

Variable Documentation

TR

basic::Tracer TR("hydrate") ( "hydrate"  )

static

Referenced by main().