create_constraints.cc File Reference

#include <protocols/viewer/viewers.hh>
#include <protocols/moves/MonteCarlo.hh>
#include <protocols/moves/Mover.hh>
#include <protocols/minimization_packing/PackRotamersMover.hh>
#include <protocols/moves/rigid_body_moves.hh>
#include <core/types.hh>
#include <core/scoring/sasa.hh>
#include <basic/prof.hh>
#include <core/chemical/AtomTypeSet.hh>
#include <core/chemical/MMAtomTypeSet.hh>
#include <core/kinematics/AtomTree.hh>
#include <core/kinematics/FoldTree.hh>
#include <core/kinematics/MoveMap.hh>
#include <core/id/AtomID_Map.hh>
#include <core/pose/Pose.hh>
#include <core/pose/Pose.fwd.hh>
#include <basic/options/option.hh>
#include <basic/options/after_opts.hh>
#include <basic/database/open.hh>
#include <devel/init.hh>
#include <core/io/pdb/pdb_writer.hh>
#include <numeric/xyzVector.hh>
#include <numeric/random/random.hh>
#include <ObjexxFCL/format.hh>
#include <ObjexxFCL/string.functions.hh>
#include "homolog_cst.hh"
#include <utility/excn/Exceptions.hh>
#include <fstream>
#include <iostream>
#include <string>
#include <basic/options/keys/james.OptionKeys.gen.hh>
#include <basic/options/keys/constraints.OptionKeys.gen.hh>
#include <core/import_pose/import_pose.hh>

Functions
utility::vector1< int >	calculate_burial (core::pose::Pose mypose)
int	main (int argc, char *argv[])

Detailed Description

Author

James Thompson

Function Documentation

calculate_burial()

utility::vector1< int > calculate_burial

(

core::pose::Pose

mypose

)

References basic::options::OptionKeys::in::file::burial, create_a3b_hbs::i, create_a3b_hbs::j, pna::resi, and basic::options::OptionKeys::cmiles::jumping::resj.

Referenced by main().

main()

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

References ObjexxFCL::format::A(), argv, basic::options::OptionKeys::in::file::burial, calculate_burial(), utility::io::oc::cerr, utility::io::oc::cout, ObjexxFCL::distance(), test.T009_Exceptions::e, ObjexxFCL::format::F(), create_a3b_hbs::i, ObjexxFCL::format::I(), basic::init(), create_a3b_hbs::j, kmeans_adaptive_kernel_density_bb_dependent_rotlib::m, basic::options::OptionKeys::max_distance, kmeans_adaptive_kernel_density_bb_dependent_rotlib::n, option, lactamize::outfile, bin_torsions::output, clean_pdb_keep_ligand::pdbfile, pyrosetta.distributed.io::pose_from_file, pna::resi, basic::options::OptionKeys::cmiles::jumping::resj, and utility_exit_with_message.