Module TorsionFingerprints


Functions

CalculateTFD
CalculateTorsionAngles
CalculateTorsionLists
CalculateTorsionWeights
GetTFDBetweenConformers
GetTFDBetweenMolecules
GetTFDMatrix
_calculateBeta
_doMatch
_doMatchExcept1
_doNotMatch
_findCentralBond
_getAtomInvariantsWithRadius
_getBondsForTorsions
_getHeavyAtomNeighbors
_getIndexforTorsion
_getSameAtomOrder
_getTorsionAtomPositions

Variables

__package__

[hide private]