Thanks for the advice Pavel!
I don't want to celebrate prematurely, but I just re-ran the same
refinement in both the stable and in nightly 4070, and it _seems_ to be
corrected in the nightly. Will let you know if it pops up again.
- Igor Petrik, PhD
On Thu, Dec 3, 2020 at 9:16 AM Pavel
Thanks Nigel,
I will put together the input and output file from my latest refinement and
send them to you and Pavel later today.
- Igor Petrik, PhD
On Wed, Dec 2, 2020 at 9:46 PM Folmer Fredslund wrote:
> Dear Igor
>
> There's a phenix bulletin board for question like this, which
the coordinates back into the correct density and refine it again in
phenix, they get distorted again.
What settings in phenix should I check to try to get it to properly refine
the coordinates?
Thanks,
- Igor Petrik, PhD
a big red error message, so I
assumed it had to be fixed, but maybe I can just explain it. I will fix the
deposition with the right coordinates and final mtz file, and try to
deposit.
- Igor Petrik, PhD
On Sat, Nov 21, 2020 at 12:27 PM Jon Cooper
wrote:
> Hello,
>
> so the structure was
st (see Refinement page) [23562]"
When I open the original sca file in Phenix, I see:
Number of Miller indices: 31365
Bijvoet pairs: 15030
What is the correct way to reconcile these numbers for the deposition?
Thanks,
- Igor Petrik, PhD
P.S. I collected and processed the data 5+ years ago, an
systems
Igor Petrik, PhD
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point. Why is this and
what is the proper way to obtain the absolute reciprocal orientation at 0
deg from XDS?
(If anyone wants to test this on their own, I can provide the frames I used
to obtain these files.)
Thanks,
- Igor Petrik
University of Illinois
Takanori and Pierre,
Thank you for your quick responses. If you read my post you will see that I
used the xds2mos.py script to convert the xds orientation to Mosflm format,
but this gives me a result that is inconsistent with the matrix calculated
directly by moslfm or DENZO. For orthorombic