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Section Navigation

  • Is element
  • Is composed of
  • Atom
    • Get atom type from atom name
    • Checking and normalizing atom types
  • Group
    • Get group type
    • Get group type from group name
    • Get bonded atom pairs
    • Is group type
    • Amino Acid
      • Is amino acid
      • Get 1 letter code from name
      • Get standard name
      • Get expected heavy atoms
      • Get expected hydrogens
      • Get group db
      • Get bonded atom pairs
    • Ion
      • Is ion
    • Water
      • Is water
    • Terminal Capping
      • Is terminal capping
    • Small Molecule
      • Is small molecule
    • Nucleotide
      • Is nucleotide
    • Lipid
      • Is lipid
    • Saccharide
      • Is saccharide
  • Component
    • Get component id
    • Get component index
    • Get component name
    • Get component type
    • Get n components
    • Is component type
  • Molecule
    • Get molecule id
    • Get molecule index
    • Get molecule name
    • Get molecule type
    • Get n molecules
    • Is molecule type
  • Entity
    • Get entity id
    • Get entity index
    • Get entity name
    • Get entity type
    • Get n entities
  • Chain
    • Get chain id
    • Get chain index
    • Get chain name
    • Get chain type
  • User Guide
  • Tools
  • Element
  • Atom

Atom#

Get atom type from atom name

Inferring chemical element symbol from atom names

Check and normalize atom types

Validating chemical elements and explicit isotope aliases

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Is composed of

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Get atom type from atom name
© 2026, Liliana M. Moreno Vargas, Diego Prada Gracia and contributors | UIBCDF Lab at the Federico Gómez Children’s Hospital of Mexico
MolSysMT is an open source project shared under an MIT license

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