metal_site_finder.cc File Reference

#include <protocols/moves/Mover.hh>
#include <protocols/jd2/JobDistributor.hh>
#include <core/id/AtomID.hh>
#include <core/chemical/AtomType.hh>
#include <core/pose/Pose.hh>
#include <core/pose/PDBInfo.hh>
#include <core/scoring/dssp/Dssp.hh>
#include <core/conformation/Conformation.hh>
#include <core/conformation/AtomGraph.hh>
#include <core/conformation/AtomGraphData.hh>
#include <core/conformation/Residue.hh>
#include <core/conformation/find_neighbors.hh>
#include <core/types.hh>
#include <utility/vector1.hh>
#include <utility/vector1.functions.hh>
#include <utility/excn/Exceptions.hh>
#include <devel/init.hh>
#include <basic/Tracer.hh>
#include <basic/options/option.hh>
#include <string>
#include <core/chemical/AtomTypeSet.hh>

Classes
class	MetalSiteFinderMover

Namespaces
	local

Typedefs
typedef utility::pointer::shared_ptr< MetalSiteFinderMover >	MetalSiteFinderMoverOP
typedef utility::pointer::shared_ptr< MetalSiteFinderMover const >	MetalSiteFinderMoverCOP

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

Variables
static basic::Tracer	TR ("apps.pilot.guffysl.metal_site_finder")
basic::options::StringOptionKey const	local::metal_type ("metal_type")
basic::options::RealOptionKey const	local::metal_ligand_distance_cutoff ("metal_ligand_distance_cutoff")
basic::options::IntegerOptionKey const	local::min_total_coord_atoms ("min_total_coord_atoms")
basic::options::IntegerOptionKey const	local::min_local_coord_atoms ("min_local_coord_atoms")
basic::options::IntegerOptionKey const	local::min_coord_res ("min_coord_res")
basic::options::IntegerOptionKey const	local::max_res_span ("max_res_span")
basic::options::BooleanOptionKey const	local::require_bordering_ss ("require_bordering_ss")
basic::options::IntegerOptionKey const	local::max_loop_size ("max_loop_size")
basic::options::BooleanOptionKey const	local::helices_only ("helices_only")
basic::options::BooleanOptionKey const	local::strict_ss_changes ("strict_ss_changes")
basic::options::BooleanOptionKey const	local::append_nonlocal_residues ("append_nonlocal_residues")
basic::options::StringOptionKey const	local::allowed_elements ("allowed_elements")

Typedef Documentation

MetalSiteFinderMoverCOP

typedef utility::pointer::shared_ptr< MetalSiteFinderMover const > MetalSiteFinderMoverCOP

MetalSiteFinderMoverOP

typedef utility::pointer::shared_ptr< MetalSiteFinderMover > MetalSiteFinderMoverOP

Function Documentation

main()

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

References utility::options::OptionCollection::add(), local::allowed_elements, local::append_nonlocal_residues, argv, utility::options::ScalarOption_T_< K, T >::def(), test.T009_Exceptions::e, local::helices_only, basic::init(), local::max_loop_size, local::max_res_span, local::metal_ligand_distance_cutoff, local::metal_type, local::min_coord_res, local::min_local_coord_atoms, local::min_total_coord_atoms, basic::options::option, local::require_bordering_ss, and local::strict_ss_changes.

Variable Documentation

TR

basic::Tracer TR("apps.pilot.guffysl.metal_site_finder") ( "apps.pilot.guffysl.metal_site_finder"  )

static

Referenced by MetalSiteFinderMover::apply().