[phenixbb] anyone with a scalepack file with R3 or R32 using rhombohedral axes?

[MARTYN SYMMONS]

Dear Ralf 
         this 'reverse' convention is certainly what I remember from a few years ago. It confused me I have to say...
             all the best
                   Martyn 

Martyn Symmons
Cambridge
UK


--- On Wed, 8/12/10, Ralf W. Grosse-Kunstleve <rwgk at yahoo.com> wrote:

> From: Ralf W. Grosse-Kunstleve <rwgk at yahoo.com>
> Subject: [phenixbb] anyone with a scalepack file with R3 or R32 using rhombohedral axes?
> To: phenixbb at phenix-online.org
> Date: Wednesday, 8 December, 2010, 5:40
> I'm looking for a little help from
> the phenix user community.
> Does anyone have a scalepack output file with data in space
> group R3 or R32
> using rhombohedral axes, i.e. unit cell parameters a=b=c,
> alpha=beta=gamma?
> What is the space group symbol in the file?
> I'm only interested to know this for files that are the
> direct output of 
> scalepack.
> 
> I'd like to verify that this part of the scalepack
> documentation is actually 
> true:
> 
> http://www.hkl-xray.com/hkl_web1/hkl/manual_online.pdf
> Page 139:
> 
> 146 R3  R3 in hexagonal setting 
> 446 H3 R3 in primitive setting 
> 155 R32  R32 in hexagonal setting 
> 455 H32 R32 in primitive setting 
> 
> If this is actually true, it is the exact opposite of
> what's used by the PDB.
> 
> Thanks in advance for feedback.
> 
> Ralf
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