edu.duke.cs.osprey/edu.duke.cs.osprey.gui.prep/ForcefieldAnalyzer

ForcefieldAnalyzer

class ForcefieldAnalyzer(mols: List<Molecule>)
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Types

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interface Parameterized
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Functions

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fun parameterize(): ForcefieldAnalyzer.Parameterized
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Properties

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val forcefields: ForcefieldSet
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val mols: List<Molecule>
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val netCharges: NetCharges
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