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
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,
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
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
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
