Package | Description |
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uk.ac.ebi.reactionblast.mapping | |
uk.ac.ebi.reactionblast.mechanism | |
uk.ac.ebi.reactionblast.tools |
Constructor and Description |
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CallableAtomMappingTool(org.openscience.cdk.interfaces.IReaction reaction,
IStandardizer standardizer,
boolean removeHydrogen)
Takes a standardizer to standardize the reaction before mapping.
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Constructor and Description |
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ReactionMechanismTool(org.openscience.cdk.interfaces.IReaction reaction,
boolean forcedMapping,
boolean generate2D,
boolean generate3D,
IStandardizer standardizer) |
Modifier and Type | Class and Description |
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class |
StandardizeReaction |