ORTEP2. Crystal Structure Illustration Plots

Technical Report · Wed Feb 17 00:00:00 EST 1982

OSTI ID:145720

Johnson, C K ^[1]

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1. Oak Ridge National Lab., Oak Ridge, TN (United States)

ORTEP2 draws crystal structure illustrations using a CalComp plotter. Ball and stick type illustrations of publication quality are produced with either spheres or thermal motion probability ellipsoids on the atomic sites. The program can produce stereoscopic pairs of illustrations which aid in the visualization of complex packing arrangements of atoms and thermal motion patterns. Interatomic distances, bond angles, and principal axes of thermal motion are calculated also as part of the structural study. ORTEP2 includes a hidden line algorithm to eliminate those portions of atoms or bonds behind other atoms or bonds.

• Research Organization: Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
• Sponsoring Organization: USDOE Office of Energy Research, Washington, DC (United States)
• DOE Contract Number: AC05-84OR21400
• OSTI ID: 145720
• Report Number(s): ESTSC-000343I036000; NESC-938
• Resource Relation: Other Information: DN: ORTEP-II uses the proprietary CalComp plotting software.; PBD: 17 Feb 1982
• Country of Publication: United States
• Language: English

Related Subjects

99 MATHEMATICS
COMPUTERS
INFORMATION SCIENCE
MANAGEMENT
LAW
MISCELLANEOUS
66 PHYSICS
O CODES
CRYSTAL STRUCTURE
COMPUTER PROGRAM DOCUMENTATION
THERMODYNAMIC PROPERTIES
INTERATOMIC DISTANCES
BOND ANGLE
MOTION
PLOTTERS
X-RAY DIFFRACTION
CRYSTALLOGRAPHY
COMPUTER GRAPHICS
DIAGRAMS