OEChem - Java Theory Manual

Previous: 19.4 OEExprOpts Namespace Up: OEChem - Java Theory Next: 20.1 Getting and Setting

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20. Coordinate Handling

• 20.1 Getting and Setting Coordinates of Atoms and Molecules
• 20.2 Coordinate Manipulation
  • 20.2.1 High-level Transform Objects
  • 20.2.2 Molecular Geometry Routines
    • 20.2.2.1 OEGetDistance
    • 20.2.2.2 OEGetDistance2
    • 20.2.2.3 OEGetAngle
    • 20.2.2.4 OEGetTorsion
    • 20.2.2.5 OEGetAbsTorsion
    • 20.2.2.6 OESetTorsion
    • 20.2.2.7 OETranslate
    • 20.2.2.8 OERotate
    • 20.2.2.9 OEEulerRotate
    • 20.2.2.10 OECenter
    • 20.2.2.11 OERMSD
    • 20.2.2.12 OEGetTorsions
    • 20.2.2.13 OECopyCoords
  • 20.2.3 Low-level Geometry Routines

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				OEChem - Java Theory Manual

Previous: 19.4 OEExprOpts Namespace Up: OEChem - Java Theory Next: 20.1 Getting and Setting

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Documentation released on June 4, 2008.