symmetry file for Phenix merging statistics
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
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
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
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
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
mailto:[email protected]> 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
participants (2)
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Pavel Afonine
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Xiao Lei