Package com.actelion.research.chem.phesa
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Interface Summary Interface Description Evaluable -
Class Summary Class Description AtomicGaussian DescriptorHandlerShape DescriptorHandlerShapeOneConf EncodeFunctions February 2018 Author: J.EvaluableOverlap Gaussian3D MolecularVolume OptimizerLBFGS taken from DD_chem3d, small changes necessary because a different output structure is needed it returns not only a value (the objective function), but the transformation array for achieving the best alignmentPheSAAlignment PheSAAlignmentOptimizer PheSABindingHypothesis PheSAMolecule Quaternion QuickMathCalculator VolumeGaussian -
Enum Summary Enum Description PheSAAlignment.axis