pcs_score_residues.cc File Reference

#include <core/types.hh>
#include <devel/init.hh>
#include <core/chemical/AA.hh>
#include <core/scoring/dssp/Dssp.hh>
#include <core/pose/Pose.hh>
#include <core/kinematics/RT.hh>
#include <core/io/pdb/pdb_writer.hh>
#include <basic/options/option.hh>
#include <basic/options/keys/robert.OptionKeys.gen.hh>
#include <core/conformation/Conformation.fwd.hh>
#include <core/conformation/Residue.hh>
#include <core/conformation/Atom.hh>
#include <utility/vector1.hh>
#include <utility/io/izstream.hh>
#include <utility/io/ozstream.hh>
#include <utility/file/FileName.hh>
#include <ObjexxFCL/char.functions.hh>
#include <ObjexxFCL/string.functions.hh>
#include <ObjexxFCL/FArray2A.hh>
#include <ObjexxFCL/FArray2A.fwd.hh>
#include <numeric/random/random.hh>
#include <numeric/xyzMatrix.hh>
#include <numeric/xyzMatrix.fwd.hh>
#include <core/scoring/rms_util.hh>
#include <core/scoring/Energies.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/ScoreFunctionFactory.hh>
#include <core/scoring/ScoreFunction.fwd.hh>
#include <core/io/silent/silent.fwd.hh>
#include <core/io/silent/ProteinSilentStruct.hh>
#include <core/io/silent/SilentFileData.hh>
#include <protocols/evaluation/RmsdEvaluator.hh>
#include <protocols/scoring/methods/pcs/PseudocontactShiftEnergy.hh>
#include <protocols/scoring/methods/pcs/PseudocontactShiftEnergyCreator.hh>
#include <core/chemical/ChemicalManager.hh>
#include <core/chemical/ResidueTypeSet.fwd.hh>
#include <basic/options/keys/out.OptionKeys.gen.hh>
#include <basic/options/keys/in.OptionKeys.gen.hh>
#include <fstream>
#include <iostream>
#include <string>
#include <core/import_pose/import_pose.hh>
#include <protocols/jumping/StrandPairing.hh>
#include <numeric/xyz.functions.hh>
#include <ObjexxFCL/format.hh>

Functions
void	invert_exclude_residues (Size nres, utility::vector1< int > const &exclude_list, protocols::simple_filters::ResidueSelection &residue_selection)
int	main (int argc, char *argv[])

Function Documentation

invert_exclude_residues()

void invert_exclude_residues	(	Size	nres,
		utility::vector1< int > const &	exclude_list,
		protocols::simple_filters::ResidueSelection &	residue_selection
	)

References create_a3b_hbs::nres.

Referenced by main().

main()

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

References argv, begin, count, utility::io::oc::cout, test.T009_Exceptions::e, test.T200_Scoring::emap, end, basic::options::OptionKeys::cluster::gdtmm, create_a3b_hbs::i, basic::init(), invert_exclude_residues(), subloop_histogram::iterator, in::file::native(), docking::native_pose, basic::options::OptionKeys::out::file::o, option, lactamize::outfile, basic::options::OptionKeys::nmr::pcs::pcs, beta_nonlocal::pose, pyrosetta.distributed.io::pose_from_file, in::file::residue_type_set(), execute::residues, average_rmsds::rmsd, oop_conformations::scorefxn, basic::options::OptionKeys::frags::scoring::scoring, sfd, basic::options::OptionKeys::in::file::silent, in::file::silent(), basic::options::OptionKeys::inout::dbms::user, and window_size.