MetalInterface.hh File Reference

This header contains helper functions common to metal interface pilot_apps. More...

#include <core/conformation/Residue.hh>
#include <numeric/xyzVector.hh>
#include <basic/Tracer.hh>
#include <string>
#include <core/chemical/AtomType.hh>

Enumerations
enum	MatchPosition {   p1_1 = 1 , p1_2 = 2 , p1_3 = 3 , p2 = 4 ,   metal = 5 , p1_1 = 1 , p1_2 = 2 , p1_3 = 3 ,   p2 = 4 , metal = 5 }

Functions
std::string const	find_closest_atom (core::conformation::Residue const &res, core::Vector const &xyz)

Detailed Description

This header contains helper functions common to metal interface pilot_apps.

Author

Steven Lewis

Enumeration Type Documentation

MatchPosition

enum MatchPosition

Enumerator
p1_1
p1_2
p1_3
p2
metal
p1_1
p1_2
p1_3
p2
metal

Function Documentation

find_closest_atom()

std::string const find_closest_atom	(	core::conformation::Residue const &	res,
		core::Vector const &	xyz
	)

References kmeans_adaptive_kernel_density_bb_dependent_rotlib::dis, create_a3b_hbs::i, ObjexxFCL::index(), res, pyrosetta.distributed.cluster.exceptions::T, basic::Warning(), and basic::options::OptionKeys::in::file::xyz.

Referenced by ZincMatchFilter::apply(), zinc1_homodimer_setup::apply(), and main().