Convert a Molecule to atom-pair distance bounds and chiral constraints. More...
#include "Molassembler/DistanceGeometry/DistanceBoundsMatrix.h"
#include "Molassembler/Molecule.h"
#include "Molassembler/Graph.h"
#include "Molassembler/StereopermutatorList.h"
#include "Molassembler/AtomStereopermutator.h"
#include "Molassembler/Stereopermutators/FeasiblePermutations.h"
#include <unordered_map>
Go to the source code of this file.
Data Structures | |
class | Scine::Molassembler::DistanceGeometry::SpatialModel |
Class performing spatial modeling of molecules. More... | |
struct | Scine::Molassembler::DistanceGeometry::SpatialModel::BoundsMatrixHelper |
Namespaces | |
Scine::Molassembler | |
Central library namespace. | |
Scine::Molassembler::DistanceGeometry | |
Distance geometry-related classes and functions. | |
Convert a Molecule to atom-pair distance bounds and chiral constraints.