Package com.actelion.research.chem.conf
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Interface Summary Interface Description VDWRadii -
Class Summary Class Description AtomAssembler BondAngleSet BondLengthSet BondRotationHelper Conformer ConformerSet ConformerSetGenerator MolecularFlexibilityCalculator SymmetryCorrectedRMSDCalculator employing RMSD calculation using a HungarianAlgorithm for the atom assignment to correct for overestimated RMSD values obtained by conventional methods for molecules with symmetric substructures based on: dx.doi.org/10.1021/ci400534hTorsionDB TorsionDescriptor TorsionDescriptorHelper TorsionDetail TorsionPrediction TorsionRelevanceHelper