Dear all,
Thank you all! There are so many useful replies. The problem has been
solved by using the way introduced by Clemens (see below, I dont have
an access to SCALEPACK).
BTW, although beta is close to 90, it is not a orthorhombic crystal
(Rmerge goes up to ~0.3 after scaling).
Thanks again!
Reindex your data as -h -k l or h -k -l - this will automatically
change the cell to berta = 90.4
eleanor
On 06/08/2011 04:10 PM, Vellieux Frederic wrote:
Zhiyi Wei wrote:
Dear all,
I have a P2 derivative dataset with beta=89.6. I try to change the
beta to 90.4 to be consistent with t
Thx Clemens, - my indexing gives the same setting, correct is -a -b c
BR
-Original Message-
From: Clemens Vonrhein [mailto:vonrh...@globalphasing.com]
Sent: Wednesday, June 08, 2011 9:06 AM
To: Bernhard Rupp (Hofkristallrat a.D.)
Subject: Re: [ccp4bb] Change cell parameter
Hi Bernhard
you probably need to reindex your data.
h -> h
k -> -k
l -> -l
by using the command
hkl matrix
1 0 0
0 -1 0
0 0 -1
in scalepack
In HKL2000 you should use reindex menu or data set macro (not the overall
scaling macro). Dataset macro exists only in the newest version of
HKL2000.
The reindexing
Thx Clemens, - my indexing gives the same setting, correct is -a -b c
BR
-Original Message-
From: Clemens Vonrhein [mailto:vonrh...@globalphasing.com]
Sent: Wednesday, June 08, 2011 9:06 AM
To: Bernhard Rupp (Hofkristallrat a.D.)
Subject: Re: [ccp4bb] Change cell parameter
Hi Bernhard
Hi Zhiyi,
This is very easily done using Pointless. From the gui, click "Match index to
reference", enter your two mtz files and run.
ERic
Eric T. Larson, PhD
Biomolecular Structure Center
Department of Biochemistry
Box 357742
University of Washington
Seattle,
Since this is a change in cell convention from an acute monoclinic to an
obtuse monoclinic indexing, I suspect that more than a change in the mtz
header is required. The reciprocal lattice needs to be reindexed. Will
pointless perform this task?
Dale Tronrud
On 06/08/11 08:10, Vellieux Frede
Zhiyi Wei wrote:
Dear all,
I have a P2 derivative dataset with beta=89.6. I try to change the
beta to 90.4 to be consistent with the native dataset. Should I do sth
with the HKL, like applying a matrix? Thanks a million!
Best,
Zhiyi
Hi,
Personally I would use sftools (no ccp4i GUI), to b
Dear all,
I have a P2 derivative dataset with beta=89.6. I try to change the
beta to 90.4 to be consistent with the native dataset. Should I do sth
with the HKL, like applying a matrix? Thanks a million!
Best,
Zhiyi
