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

ChainGeneratorSingleResidue

class ChainGeneratorSingleResidue(idGenerator: ChainIdGenerator) : ChainGenerator
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Generates single-residue chains for non-polymer molecules. Useful for small molecules.

Constructors

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fun ChainGeneratorSingleResidue(idGenerator: ChainIdGenerator)
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Functions

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open override fun generateChain(nonPolymerMol: Molecule, polymerMol: Polymer, polymerAtoms: List<Atom>): Polymer.Chain
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nonPolymerMol is the input non-polymer molecule to be combined. polymerMol is the combined output molecule, with the polymerAtoms already added. polyerAtoms are the atoms in polymerMol which have already been copied from nonPolymerMol.

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open override fun setUsedIds(ids: Collection<String>)
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Properties

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val idGenerator: ChainIdGenerator
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