TorsionPreferences.h File Reference

#include <RDGeneral/export.h>
#include <vector>

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Classes
struct	ForceFields::CrystalFF::CrystalFFDetails

Namespaces
namespace	RDKit
	Std stuff.
namespace	ForceFields
namespace	ForceFields::CrystalFF

Functions
RDKIT_FORCEFIELDHELPERS_EXPORT void	ForceFields::CrystalFF::getExperimentalTorsions (const RDKit::ROMol &mol, CrystalFFDetails &details, bool useExpTorsions=false, bool useSmallRingTorsions=false, bool useMacrocycleTorsions=false, bool useBasicKnowledge=false, unsigned int version=1, bool verbose=false)
	Get the experimental torsional angles in a molecule. More...