Uses of Class
com.actelion.research.chem.phesa.PheSAAlignment
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Packages that use PheSAAlignment Package Description com.actelion.research.chem.phesa com.actelion.research.chem.phesaflex -
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Uses of PheSAAlignment in com.actelion.research.chem.phesa
Methods in com.actelion.research.chem.phesa that return PheSAAlignment Modifier and Type Method Description PheSAAlignmentEvaluableOverlap. getAlignment()Constructors in com.actelion.research.chem.phesa with parameters of type PheSAAlignment Constructor Description EvaluableOverlap(PheSAAlignment shapeAlign, double[] transform)EvaluableOverlap(PheSAAlignment shapeAlign, double[] transform, double ppWeight) -
Uses of PheSAAlignment in com.actelion.research.chem.phesaflex
Methods in com.actelion.research.chem.phesaflex that return PheSAAlignment Modifier and Type Method Description PheSAAlignmentEvaluableFlexibleOverlap. getAlignment()Constructors in com.actelion.research.chem.phesaflex with parameters of type PheSAAlignment Constructor Description EvaluableFlexibleOverlap(PheSAAlignment shapeAlign, StereoMolecule refMol, StereoMolecule fitMol, double ppWeight, boolean[] isHydrogen, double[] v, java.util.Map<java.lang.String,java.lang.Object> ffOptions)
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