Python API Documentation

Pages:

• Geometry class
  • Geometry
• Reading and Writing Files
  • FileReader class
  • FileWriter class
• Finders
  • get_class()
  • BondsFrom
  • WithinBondsOf
  • BondedTo
  • WithinRadiusFromPoint
  • WithinRadiusFromAtom
  • NotAny
  • AnyTransitionMetal
  • AnyNonTransitionMetal
  • HasAttribute
  • VSEPR
  • BondedElements
  • NumberOfBonds
  • ChiralCentres
  • ChiralCenters
  • FlaggedAtoms
  • CloserTo
  • IsElement
  • OfType
  • Aromatics
  • ONIOMLayer
  • AmideCarbon
  • Bridgehead
  • SpiroCenters
  • Resiude
• theory module
  • Theory class
  • Theory parameters
  • JobType classes
  • Basis Set classes
  • Method classes
  • EmpiricalDispersion class
  • ImplicitSolvent class
  • IntegrationGrid class
• Atom class
  • Atom
• Component class
  • Component
• Substituent class
  • Substituent
• Ring class
  • Ring
• Spectra
  • Signal
  • Signals
  • HarmonicVibration
  • AnharmonicVibration
  • Frequency
  • ValenceExcitation
  • SOCExcitation
  • TransientExcitation
  • ValenceExcitations
• CompOutput class
  • CompOutput
• Orbital class
  • Orbitals
• SubmitProcess class
  • SubmitProcess
• JSON Caching
  • ATEncoder
  • ATDecoder
• PointGroup class
  • PointGroup