ORTEP-III: Oak Ridge Thermal Ellipsoid Plot Program for crystal structure illustrations
This report describes a computer program for drawing crystal structure illustrations. Ball-and-stick type illustrations of a quality suitable for publication are produced with either spheres or thermal-motion probability ellipsoids on the atomic sites. The program can also 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 also calculated to aid the structural study.
- Research Organization:
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
- Sponsoring Organization:
- USDOE, Washington, DC (United States)
- DOE Contract Number:
- AC05-96OR22464
- OSTI ID:
- 369685
- Report Number(s):
- ORNL-6895; ON: DE96014593; TRN: 96:005205
- Resource Relation:
- Other Information: PBD: Jul 1996
- Country of Publication:
- United States
- Language:
- English
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