[phenixbb] Selecting ellipsoid of data
Frank von Delft
frank.vondelft at sgc.ox.ac.uk
Wed Jul 14 23:15:58 PDT 2010
Yeah, I figured. So if I want to use cctbx, where do I start? Just a
pointer to a) package and b) function where I'll see the syntax.
So equation for ellipsoid is x^2/a^2 + y^2/b^2 + z^2/c^2 = 1; so I
imagine I take each reflection, convert each of h,k,l to 1/reso, and
with a = 1/res(a*), I just check whether the above is < 1.
The main thing I still need is to convert h,k,l into orthogonal
coordinates.... or do I? I suppose I don't, as what I care for is not
whether it's "really" an ellipsoid, only whether it cuts through miller
index space anisotropically.
Hmmmm... I may be able to do it in sftools; but if you can in <1minute
give me a link to where to look to get started in cctbx, that would be
(Thanks for listening :)
> Hi Frank,
>> Hi, is there a tool in phenix that allows me to select an ellipsoid of
>> data -- specified e.g. by the highest resolutions in three reciprocal
>> lattice directions. (Yes, I'm playing with anisotropy, "playing" being
>> the operative word.)
> I'm not aware of such a tool.
> phenixbb mailing list
> phenixbb at phenix-online.org
More information about the phenixbb