A related question: is there a current example of using phaser to calculate SAD LLG maps from a refined model not refined with phenix.refine? In the past I have used the description posted here:
http://www.phenix-online.org/pipermail/phenixbb/2008-July/012399.html

However phaser syntax and keywords seem to have changed a bit as this no longer works. Also, have the derived FLLG and PHLLG columns been renamed ?
thanks,
Alastair Fyfe

On 04/03/2014 09:13 AM, Nathaniel Echols wrote:

PS. Tom pointed out that the anomalous measurability in Xtriage depends on
the sigmas, which is obviously a problem for synthetic data - you can
generate fake sigmas with "add_sigmas=True", but the resulting statistics
will be meaningless.

-Nat


On Thu, Apr 3, 2014 at 8:27 AM, Nathaniel Echols <[email protected]> wrote:

I guess it depends on what you're looking for as the final output.  It's
easy to generate an MTZ file with anomalous Fcalc (this is in the GUI too,
of course):

phenix.fmodel model.pdb high_resolution=2.0 type=real wavelength=0.9792

Extracting some kind of useful summary from the data might require a
little extra scripting - although this may be the kind of thing we should
just add to Xtriage (which only reports "anomalous measurability" right
now).

-Nat



On Thu, Apr 3, 2014 at 7:20 AM, Jonathan Grimes <[email protected]>wrote:

   Given a refined protein structure, is there an straightforward way to
calculate the anomalous
   differences as a function of resolution, at wavelength X.

   many thanks
   jon

Dr. Jonathan M. Grimes,
NDM Senior Reseach Fellow
University Research Lecturer
DIAMOND Research Fellow

Division of Structural Biology
Wellcome Trust Centre for Human Genetics
University of Oxford
Roosevelt Drive,
Oxford OX3 7BN, UK

Email: [email protected], Web: www.strubi.ox.ac.uk
Tel: (+44) - 1865 - 287561, FAX: (+44) - 1865 - 287547

_______________________________________________
phenixbb mailing list
[email protected]
http://phenix-online.org/mailman/listinfo/phenixbb

_______________________________________________
phenixbb mailing list
[email protected]
http://phenix-online.org/mailman/listinfo/phenixbb