CYANA Macro: kringle

Parameters

file=filename.ps

(default: kringle.ps)

delta=real

(default: 30.0)

errorbars

Description

Produces a graphics output file with the given name (a Graf file if the extension is “.grf”, or a Postscript file otherwise) containing a plot of $^{3}J_{\alpha \beta 2}$ versus $^{3}J_{\alpha \beta 3}$ coupling constants (Nagayama & Wüthrich, 1981). The theoretical curve based on the Karplus equation given in the library is also drawn, both for a rigid structure (solid line) and for the situation when the $X^{1}$ angle is uniformly distributed in the interval ±delta around a given value (dotted line). Optionally, errorbars can be shown for the coupling constant values.