[phenixbb] Geometry Restraints - UPDATE

[Bryan Lepore]

On Wed, Apr 25, 2012 at 9:05 AM, Mario Sanches <mariosan at gmail.com> wrote:
> Pavel finally corrected it by using this
> server: http://services.mbi.ucla.edu/anisoscale/

wondering about a number of things on the topic of anisotropic
diffraction vis-a-vis phenix :

* what does any phenix subprogram do lately in this regard - truncate
or scale, etc?

i.e. why use the UCLA server at this point if it uses phaser anyways -
just to truncate? is anisodisp.f a phaser subroutine? it is not clear
to me what is going on in phenix - phaser applies aniso scaling all
the time - does phenix.refine do this? what about with unmerged data
as in autosol/autobuild?  why? I also note that the Sawaya powerpoint
shows over 30% of the original (merged?) data in the example is
rejected.

(not-so phenix-related):

* would not anisotropic scaling/truncation be more appropriate to
apply to unmerged data - although they have a program downloadable,
the server does not run this.

* mosflm has been able to run anisotropic scaling for a while (see
below - worthwhile CCP4 thread).

* does aimless (previously scala) run anisotropic scaling? (i'll ask on ccp4)

ref:
http://www.mail-archive.com/ccp4bb@jiscmail.ac.uk/msg12316.html

-Bryan