[phenixbb] anyone with a scalepack file with R3 or R32 using rhombohedral axes?
martainn_oshiomains at btinternet.com
Wed Dec 8 01:08:14 PST 2010
this 'reverse' convention is certainly what I remember from a few years ago. It confused me I have to say...
all the best
--- 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,
> What is the space group symbol in the file?
> I'm only interested to know this for files that are the
> direct output of
> I'd like to verify that this part of the scalepack
> documentation is actually
> 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.
> phenixbb mailing list
> phenixbb at phenix-online.org
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