Fitting a helix is not trivial.
If you have access to windows and mathematica, then you might try
helfit. (Otherwise, you could implement the algorithm yourself and
then share your code with the rest of us ;-)
http://dx.doi.org/10.1016/j.compbiolchem.2008.03.012
James
On Aug 15, 2010, at 12:29 AM, 商元 wrote:
Dear all,
I want to compare the conformational change of two similar
structures, using one alpha helix as the reference. Then, how can I
get a vector that can represent both the position and direction of
the helix? Is there any well-known software can do this？
Or, should I build a cylinder model, with parameters
[radius,bottom center(x1,y1,z1),top center(x1,y2,z2)], using the
coordinates of C,C(alpha) and N to fit these parameters?
Thanks for any suggestions
Regards,
Yuan SHANG
