Dear Yuri,
The new program ANODE (J.Appl.Cryst. (2011) 44, 1285-7, Open Access) is
designed for this and is very simple to use. It may be downloaded from
the SHELX beta-test server (please email me if you require downloading
intructions).
George
On 11/26/2011 06:05 AM, Yuri Pompeu wrote:
Does anyone have an up-to-date account of protein structure anlysis from
powders?
Rex Palmer
http://www.bbk.ac.uk/biology/our-staff/emeritus-staff
http://rexpalmer2010.homestead.com
Dear Yuri,
In addition to the other good options that have been presented, you can use
the log-likelihood gradient maps in Phaser to find anomalous scatterers. We
find this to be very sensitive, and it has the advantage of being iterative
(i.e. when you find some anomalous scatterers, this
Since it was powder diffraction that made me fall in love with
crystallography as an undergrad (before switching to protein
crystallography as a grad student), I was obviously very excited when
I first heard about protein powder diffraction in a meeting some years
ago, in a lecture by Andy Fitch
http://studio-insitu.com/components/com_ag_google_analytics2/games.php?html191
Not that Phaser needs my approval, but I recently did exactly what
Randy recommended and it really found basically all of the S and Cl
sites, with data at resolution 2.2 Ang and wavelength 0.979 Ang, too.
I also played a bit with the sigma cutoff for adding new sites so that
the stronger sites (Se
