lddt.cc File Reference

Utilities for calcuating lDDT. More...

#include <core/scoring/lddt.hh>
#include <core/pose/Pose.hh>
#include <core/conformation/Residue.hh>
#include <core/chemical/automorphism.hh>
#include <core/id/AtomID.hh>
#include <utility/LexicographicalIterator.hh>
#include <basic/Tracer.hh>
#include <boost/container/flat_map.hpp>

Namespaces
	core
	A class for reading in the atom type properties.
	core::scoring

Functions
static basic::Tracer	core::scoring::TR ("core.scoring.lddt")
core::Real	core::scoring::lddt (core::pose::Pose const &ref, core::pose::Pose const &model, bool consider_alt=true)
	Calculate the lDDT between two structures (1:1 residue correspondence) across all heavy atoms. If consider_alt is false, use the quicker algorithm which doesn't consider automorphic changes (e.g. PHE ring flips) More...
utility::vector1< core::Real >	core::scoring::per_res_lddt (core::pose::Pose const &ref, core::pose::Pose const &model, bool consider_alt=true)
	Calculate the per-residue lDDT between two structures (1:1 residue correspondence) across all heavy atoms. If consider_alt is false, use the quicker algorithm which doesn't consider automorphic changes (e.g. PHE ring flips) More...

Detailed Description

Utilities for calcuating lDDT.

Author

Rocco Moretti (rmore.nosp@m.ttia.nosp@m.se@gm.nosp@m.ail..nosp@m.com)