OEChem - Python Theory Manual Version 1.3.1

Previous: 17.4 Clique Search Up: OEChem - Python Theory Next: 18.1 Getting and Setting

---

18. Coordinate Handling

• 18.1 Getting and Setting Coordinates of Atoms and Molecules
  • 18.1.1 C Array Wrappers
• 18.2 Coordinate Manipulation
  • 18.2.1 High-level Transform Objects
  • 18.2.2 Molecular Geometry Routines
    • 18.2.2.1 OEGetDistance
    • 18.2.2.2 OEGetDistance2
    • 18.2.2.3 OEGetAngle
    • 18.2.2.4 OEGetTorsion
    • 18.2.2.5 OEGetAbsTorsion
    • 18.2.2.6 OESetTorsion
    • 18.2.2.7 OETranslate
    • 18.2.2.8 OERotate
    • 18.2.2.9 OEEulerRotate
    • 18.2.2.10 OECenter
    • 18.2.2.11 OERMSD
    • 18.2.2.12 OEGetTorsions
    • 18.2.2.13 OECopyCoords
  • 18.2.3 Low-level Geometry Routines

---

				OEChem - Python Theory Manual Version 1.3.1

Previous: 17.4 Clique Search Up: OEChem - Python Theory Next: 18.1 Getting and Setting

---

Documentation released on July 30, 2004.