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Torsion angles

For torsion angles, tex2html_wrap_inline2202 is the angle defined by the four atoms labeled i, j, k, l. The quantity is the angle between the normal to the plane defined by atoms i, j, k and the normal to the plane defined by atoms j, k, l.

Let tex2html_wrap_inline2212 be the vector from atom j to atom i, tex2html_wrap_inline2008 the vector from atom j to atom k and tex2html_wrap_inline2218 the vector from atom k to atom l. Also let tex2html_wrap_inline2272 and tex2html_wrap_inline2274 where tex2html_wrap_inline2276 is the normal to the plane containing atoms i, j, k and tex2html_wrap_inline2284 is the normal to the plane containing atoms j, k, l.

equation758

[Note: In Fortran the argument of the function ACOS is in radians. If tex2html_wrap_inline2202 is to be in degrees a conversion factor must be included.]

Let

equation765

and

equation772

Then

eqnarray779



Dale Edwin Tronrud
Thu Jan 22 14:07:35 PST 1998