How to calculate dihedral (not torsion) angles?
Paul D. Boyle
boyle at laue.chem.ncsu.edu
Wed Mar 17 09:18:07 EST 1999
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Antonio (osrisfol at ssmain.uniss.it) wrote:
: The problem is, how to calculate a dihedral angle when the four centers
: defining the two planes are
: not directly connected? For example, if we have a six ring
: molecule:
: 1 ---2
: / \
: 6 3
: \ /
: 5 -- 4
: and we need the angle between the 1-3-5 and 1-2-3 planes,
Reading Donald Sands' book, "Vectors and Tensors in Crystallography",
ISBN 0-201-07147-9 is a good place to start. Chapter 2, particularly
section 2-12, will be useful to you.
Paul
--
Paul D. Boyle | boyle at laue.chem.ncsu.edu
Director, X-ray Structural Facility | phone: (919) 515-7362
Department of Chemistry - Box 8204 | FAX: (919) 515-5079
North Carolina State University |
Raleigh, NC, 27695-8204
http://laue.chem.ncsu.edu/web/xray.welcome.html
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