compute_ddgs.cc File Reference

#include <iostream>
#include <iomanip>
#include <protocols/rigid/RigidBodyMover.hh>
#include <devel/init.hh>
#include <core/io/pdb/pdb_writer.hh>
#include <core/pack/task/TaskFactory.hh>
#include <core/pack/task/PackerTask.hh>
#include <core/pack/pack_rotamers.hh>
#include <core/pose/Pose.hh>
#include <core/scoring/ScoreFunctionFactory.hh>
#include <core/scoring/TenANeighborGraph.hh>
#include <utility/vector1.hh>
#include <utility/io/ozstream.hh>
#include <utility/excn/Exceptions.hh>
#include <core/import_pose/import_pose.hh>

Functions
void	dump_ddg_pdb (std::string const &tag, Size const &resnum, pose::Pose const &pose, std::string const &prefix)
int	main (int argc, char *argv[])
	General testing code. More...

Function Documentation

dump_ddg_pdb()

void dump_ddg_pdb	(	std::string const &	tag,
		Size const &	resnum,
		pose::Pose const &	pose,
		std::string const &	prefix
	)

References utility::io::ozstream::clear(), utility::io::ozstream::close(), utility::io::ozstream::open(), erraser_single_res_analysis::out, beta_nonlocal::pose, create_a3b_hbs::prefix, predPRE::resnum, and tag.

Referenced by main().

main()

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

General testing code.

References argv, utility::vectorL< L, T, A >::at(), utility::io::ozstream::clear(), utility::io::ozstream::close(), utility::graph::Node::const_edge_list_end(), utility::io::oc::cout, dump_ddg_pdb(), test.T009_Exceptions::e, basic::options::OptionKeys::optE::fixed, utility::graph::Edge::get_node(), create_a3b_hbs::ii, basic::init(), docking::native_pose, create_a3b_hbs::nres, utility::io::ozstream::open(), erraser_single_res_analysis::out, basic::options::OptionKeys::coupled_moves::output_prefix, pyrosetta.distributed.io::pose_from_file, oop_conformations::scorefxn, and pna::trans_mover.