-1710
From: CCP4 bulletin board [CCP4BB@JISCMAIL.AC.UK] on behalf of Francois
Berenger [beren...@riken.jp]
Sent: Thursday, October 13, 2011 4:36 AM
To: CCP4BB@JISCMAIL.AC.UK
Subject: Re: [ccp4bb] change of origin for reflections or map
Hello,
The more I read this mailing list, the
Hello,
The more I read this mailing list, the more I feel
the crystallographer is a very special human being:
- he lives in the Fourier space
- when he goes to the Cartesian space, he restricts
himself to a small box that is replicated to the infinity
using symmetry operators and origin shif
If you have two pdb files - one for each ha solution, you can use
csymmatch -pdbin-ref soln1.pdb -pdbin soln2.pdb -origin-hand
-connetivity-radius 1
Eleanor
On 10/11/2011 10:58 PM, George M. Sheldrick wrote:
There are 4 possible origins in I222. There is a simple but inelegant way to
check.
On Wed, Oct 12, 2011 at 1:35 AM, James Holton wrote:
> My list has 8 different allowed
> shifts for I222, but I assume this is because the 0,0,1/2 shift is
> part of a symmetry operator. I guess it is a matter of semantics as
> to wether or not that is an "allowed shift"?
>
> James, the (0,0,1/2
I wrote a little jiffy program for doing things like this:
http://bl831.als.lbl.gov/~jamesh/pickup/origins.com
you run it like this:
origins.com rigthorigin.pdb wrongorigin.pdb I222 correlate
This will shift "wrongorigin.pdb" by each of what I think are the
"allowed origin shifts", calculate an
There are 4 possible origins in I222. There is a simple but inelegant way to
check. Run the SHELXE job for the second dataset four times, first with no MOVE
instruction, then with one of the following MOVE instructions inserted between
UNIT and the first atom in the *_fa.res file from SHELXD:
MO
Hi,
I have two solutions from the ShelX C/D/E pipeline I would like to compare
(different datasets, same protein). They seem to have different origins.
Space group is I222, with a choice of 8 origins.
How can I find and apply the correct shift to have the phase sets on a
common origin?
The informa
