edu.duke.cs.osprey/edu.duke.cs.osprey.gui.io/Mol2Metadata

Mol2Metadata

class Mol2Metadata
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Types

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object Companion
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enum DictionaryType : Enum<Mol2Metadata.DictionaryType>
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Properties

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val atomCharges: MutableMap<Atom, String>
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val atomTypes: MutableMap<Atom, String>
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val bondTypes: MutableMap<AtomPair, String>
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val dictionaryTypes: MutableMap<Polymer.Residue, String>
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var smallMoleculeDictionaryType: String
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