Uses of Class
com.actelion.research.chem.conf.BondRotationHelper
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Packages that use BondRotationHelper Package Description com.actelion.research.chem.optimization com.actelion.research.chem.phesaflex com.actelion.research.chem.potentialenergy -
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Uses of BondRotationHelper in com.actelion.research.chem.optimization
Methods in com.actelion.research.chem.optimization with parameters of type BondRotationHelper Modifier and Type Method Description void
MCHelper. setTorsionHelper(BondRotationHelper torsionHelper)
Constructors in com.actelion.research.chem.optimization with parameters of type BondRotationHelper Constructor Description MCHelper(BondRotationHelper torsionHelper, int[] mcsRotBondIndeces, java.util.Random random)
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Uses of BondRotationHelper in com.actelion.research.chem.phesaflex
Constructors in com.actelion.research.chem.phesaflex with parameters of type BondRotationHelper Constructor Description EvaluableFlexibleOverlap(PheSAAlignment shapeAlign, StereoMolecule refMol, Conformer fitConf, BondRotationHelper torsionHelper, double ppWeight, boolean[] isHydrogen, java.util.Map<java.lang.String,java.lang.Object> ffOptions)
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Uses of BondRotationHelper in com.actelion.research.chem.potentialenergy
Constructors in com.actelion.research.chem.potentialenergy with parameters of type BondRotationHelper Constructor Description EmpiricalLigandStrain(Conformer conf, int[] atomTypes, BondRotationHelper torsionHelper)
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