edu.duke.cs.osprey/edu.duke.cs.osprey.gui.forcefield.amber/AmberMolParams

AmberMolParams

data class AmberMolParams(mol: Molecule, atomIndex: AtomIndex, types: AmberTypes, frcmods: List<String>)
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Properties

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val atomIndex: AtomIndex
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val frcmods: List<String>
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val mol: Molecule
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val types: AmberTypes
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Extensions

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suspend fun AmberMolParams.calcParamsAmber(): AmberParams
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