svd_superpose.hh File Reference

#include <ost/base.hh>
#include <ost/geom/geom.hh>
#include <ost/mol/mol.hh>
#include <ost/mol/alg/module_config.hh>

Go to the source code of this file.

Data Structures
struct	SuperpositionResult
	stores the number of cycles and the two final EntityViews (in case IterativeSuperposition was applied), the root mean square deviation of the two superposed objects and the transformation matrix (geom::Mat4) to superpose input1 onto input2. More...
class	SuperposerSVD
	effiently superpose a bunch of models with the same number of atoms Choose either two EntityViews or two AtomViewLists. More...

Namespaces
namespace	ost
namespace	ost::mol
namespace	ost::mol::alg

Functions
SuperpositionResult DLLEXPORT_OST_MOL_ALG	SuperposeAtoms (const mol::AtomViewList &atoms1, const mol::AtomViewList &atoms2, bool apply_transform)
SuperpositionResult DLLEXPORT_OST_MOL_ALG	SuperposeSVD (const mol::EntityView &ev1, const mol::EntityView &ev2, bool apply_transform)
SuperpositionResult DLLEXPORT_OST_MOL_ALG	SuperposeSVD (const std::vector< geom::Vec3 > &pl1, const std::vector< geom::Vec3 > &pl2)
SuperpositionResult DLLEXPORT_OST_MOL_ALG	IterativeSuperposition (mol::EntityView &ev1, mol::EntityView &ev2, int ncycles, Real distance_threshold, bool apply_transform)
Real DLLEXPORT_OST_MOL_ALG	CalculateRMSD (const mol::EntityView &ev1, const mol::EntityView &ev2, const geom::Mat4 &transformation)