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gufe documentation
gufe documentation
  • Installation
  • Core Concepts
    • Understanding GufeTokenizables
    • Data models included in gufe
    • Serialization constraints and methods in gufe
    • Logging in GufeTokenizables
  • How-To Guides
    • Serializing gufe objects
    • How to define a new Component
    • How to define a new Protocol
    • How to define a custom GufeQuantity
  • API
    • gufe.components
      • gufe.components.component
      • gufe.components.errors
      • gufe.components.explicitmoleculecomponent
      • gufe.components.proteincomponent
      • gufe.components.smallmoleculecomponent
      • gufe.components.solvatedpdbcomponent
      • gufe.components.solventcomponent
    • gufe.mapping
      • gufe.mapping.atom_mapper
      • gufe.mapping.atom_mapping
      • gufe.mapping.componentmapping
      • gufe.mapping.errors
      • gufe.mapping.ligandatommapping
    • gufe.protocols
      • gufe.protocols.errors
      • gufe.protocols.protocol
      • gufe.protocols.protocoldag
      • gufe.protocols.protocolunit
    • gufe.settings
      • gufe.settings.models
      • gufe.settings.typing
    • gufe.storage
      • gufe.storage.errors
      • gufe.storage.externalresource
        • gufe.storage.externalresource.base
        • gufe.storage.externalresource.filestorage
        • gufe.storage.externalresource.memorystorage
    • gufe.transformations
      • gufe.transformations.transformation
    • gufe.visualization
      • gufe.visualization.mapping_visualization
    • gufe.chemicalsystem
    • gufe.serialization
      • gufe.serialization.json
      • gufe.serialization.msgpack
    • gufe.custom_typing
    • gufe.ligandnetwork
    • gufe.molhashing
    • gufe.network
    • gufe.tokenization
    • gufe.archival
    • gufe.utils
  • CHANGELOG
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gufe.mappingΒΆ

Defining the relationship between different components

Modules

atom_mapper

atom_mapping

componentmapping

errors

ligandatommapping

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