Molassembler  3.0.0
Molecule graph and conformer library
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SpatialModel.h File Reference

Convert a Molecule to atom-pair distance bounds and chiral constraints. More...

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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.
 

Detailed Description

Convert a Molecule to atom-pair distance bounds and chiral constraints.