[phenixbb] symmetry file for Phenix merging statistics
Pavel Afonine
pafonine at lbl.gov
Mon Aug 3 07:46:48 PDT 2015
Hi Xiao,
now I would try with providing the crystal symmetry information, space
group and unit cell.
Pavel
On 8/3/15 07:42, Xiao Lei wrote:
> Hi Pavel,
>
> Thanks for your information. I tried it without giving the symmetry
> file and I failed with an error message immediately after I click
> "run". It says "Phenix error: missing unit cell information".
>
> Xiao
>
> On Sat, Aug 1, 2015 at 5:27 PM, Pavel Afonine <pafonine at lbl.gov
> <mailto:pafonine at lbl.gov>> wrote:
>
> Hi Xiao,
>
> if you run phenix.merging_statistics without giving it arguments
> it will print out available parameters that you can change. Among
> them are unit_cell and space_group.
>
> I'm guessing you can define them just like this
>
> unit_cell="10,20,30,90,90,90"
> space_group="P212121"
>
> Pavel
>
>
> On 7/30/15 16:56, Xiao Lei wrote:
>
> Hi Phenixbb members,
>
> I am trying to use "phenix merging statistics" tool, and I
> have an unmerged sca file from HKL2000, because the unmerged
> HKL2000 output does not have unit cell information, so I also
> need to input a symmetry file, how can I find the symmetry
> file? Is there a way to generate a symmetry file?
>
> Thanks ahead.
>
> Xiao
>
>
>
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