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  • rdkit-0.4.8
    • rdkit 0.4.8
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    • JJ-Pineda
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      • bitvec ^1 normal
      • byteorder ^1.4.3 normal
      • cxx ^1 normal
      • flate2 ^1 normal
      • log ^0.4 normal
      • rdkit-sys ^0.4.5 normal
      • thiserror ^1 normal
      • env_logger ^0.9.0 dev
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rdkit0.4.8

  • All Items
  • Structs
  • Enums
  • Functions
  • Type Aliases

Crate rdkit

source ·

Structs§

  • Atom
  • CleanupParameters
  • Fingerprint
  • HybridizationType
  • MolBlockIter
  • PeriodicTable
  • Properties
  • ROMol
  • RWMol
  • RemoveHsParameters
  • SmilesParserParams
  • SubstructMatchItem
  • SubstructMatchParameters
  • TautomerEnumerator
  • TautomerEnumeratorResult
  • Uncharger
  • VerboseMolBlockIter

Enums§

  • MolSanitizeException
  • ROMolError

Functions§

  • add_hs
  • clean_up
  • detect_chemistry_problems
  • fragment_parent
  • remove_hs
  • set_hybridization
  • substruct_match

Type Aliases§

  • GzBufReader