ShapeSimilarityCalculator.cc File Reference

Headers for the Shape Similarity Calculator. More...

#include <core/types.hh>
#include <core/pose/Pose.hh>
#include <core/kinematics/FoldTree.hh>
#include <core/kinematics/Jump.hh>
#include <core/conformation/Residue.hh>
#include <core/scoring/sc/MolecularSurfaceCalculator.hh>
#include <core/scoring/sc/ShapeSimilarityCalculator.hh>
#include <core/scoring/sc/ShapeComplementarityCalculator_Private.hh>
#include <numeric/xyzVector.hh>
#include <numeric/NumericTraits.hh>
#include <utility/vector1.hh>
#include <utility/exit.hh>
#include <utility/io/izstream.hh>
#include <basic/Tracer.hh>
#include <basic/database/open.hh>
#include <utility/excn/Exceptions.hh>
#include <utility/string_util.hh>
#include <core/select/residue_selector/ResidueIndexSelector.hh>
#include <core/select/residue_selector/util.hh>
#include <core/select/residue_selector/ResidueVector.hh>
#include <cstdio>
#include <iostream>
#include <ostream>
#include <fstream>
#include <vector>
#include <map>
#include <string>
#include <iomanip>

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

Macros
#define	INCLUDED_core_scoring_sc_ShapeSimilarityCalculator_cc
#define	UPPER_MULTIPLE(n, d)   (((n)%(d)) ? (((n)/(d)+1)*(d)) : (n))

Functions
static basic::Tracer	TR ("core.scoring.sc.ShapeSimilarityCalculator")

Detailed Description

Headers for the Shape Similarity Calculator.

The code modifies Luki Goldschmidt's implementation of Lawrence & Coleman shape complementarity calculator to allow for the comparison of similar surface shapes.

Author

Andreas Scheck (andre.nosp@m.as.s.nosp@m.check.nosp@m.@epf.nosp@m.l.ch)

Macro Definition Documentation

#define INCLUDED_core_scoring_sc_ShapeSimilarityCalculator_cc

#define UPPER_MULTIPLE	(		n,
			d
	)		(((n)%(d)) ? (((n)/(d)+1)*(d)) : (n))

Function Documentation

static basic::Tracer TR ( "core.scoring.sc.ShapeSimilarityCalculator"  )

static