How to calculate dihedral (not torsion) angles?

Paul D. Boyle boyle at laue.chem.ncsu.edu
Wed Mar 17 09:18:07 EST 1999


<List of newsgroups and Followup List trimmed>

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




More information about the Xtal-log mailing list