OpenStructure
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#include <ost/base.hh>
#include <ost/geom/geom.hh>
#include <ost/mol/entity_view.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 |
efficiently 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) |