density_tools.cc File Reference

#include <core/types.hh>
#include <core/chemical/ChemicalManager.hh>
#include <core/chemical/ResidueTypeSet.fwd.hh>
#include <core/conformation/Residue.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/ScoreFunctionFactory.hh>
#include <core/pose/Pose.hh>
#include <core/pose/PDBInfo.hh>
#include <core/scoring/electron_density/ElectronDensity.hh>
#include <core/import_pose/import_pose.hh>
#include <protocols/hybridization/FragmentBiasAssigner.hh>
#include <protocols/electron_density/SetupForDensityScoringMover.hh>
#include <protocols/electron_density/DensityZscores.hh>
#include <basic/options/util.hh>
#include <devel/init.hh>
#include <utility/vector1.hh>
#include <numeric/xyzVector.hh>
#include <basic/Tracer.hh>
#include <basic/options/option.hh>
#include <basic/options/option_macros.hh>
#include <basic/options/keys/OptionKeys.hh>
#include <basic/options/keys/in.OptionKeys.gen.hh>
#include <basic/options/keys/edensity.OptionKeys.gen.hh>
#include <fstream>
#include <string>

Functions
std::string	name2elt (std::string line)
void	readPDBcoords (std::string filename, poseCoords &atmlist)
void	densityTools ()
int	main (int argc, char *argv[])

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

Function Documentation

densityTools()

void densityTools

(

)

References numeric::fourier::fft3(), detail::get_data(), edensity::grid_spacing(), create_a3b_hbs::i, enumerate_junctions::int, basic::options::OptionKeys::mp::dock::lowres, basic::options::OptionKeys::edensity::mapfile, edensity::mapfile(), basic::options::OptionKeys::edensity::mapreso, edensity::mapreso(), create_a3b_hbs::nres, option, clean_pdb_keep_ligand::pdbfile, beta_nonlocal::pose, pyrosetta.distributed.io::pose_from_file, create_a3b_hbs::r, readPDBcoords(), runtime_assert, in::file::s(), oop_conformations::scorefxn, basic::options::OptionKeys::frags::scoring::scoring, basic::options::start_file(), TR, basic::Tracer::Trace, utility_exit_with_message, and basic::options::OptionKeys::sc::verbose.

Referenced by main().

main()

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

References argv, densityTools(), test.T009_Exceptions::e, basic::init(), basic::options::OptionKeys::mp::dock::lowres, NEW_OPT, and basic::options::OptionKeys::sc::verbose.

name2elt()

std::string name2elt

(

std::string

line

)

References line.

Referenced by readPDBcoords().

readPDBcoords()

void readPDBcoords	(	std::string	filename,
		poseCoords &	atmlist
	)

References cal_vdw_radius_pool::buf, lactamize::filename, getline(), and name2elt().

Referenced by densityTools().

Variable Documentation

TR

basic::Tracer TR("density_tools") ( "density_tools"  )

static

Referenced by densityTools().