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, WA 98195
email: larso...@u.washington.edu
================================
On Wed, 8 Jun 2011, 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 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 be run in a terminal
sftools
read mymtz.mtz
set cell
[then you specify the new cell]
write mynewmtz.mtz
stop
However, before changing cell parameters I would think twice... Further, each
data set in an mtz file can have its own cell dimensions. Differences in unit
cell parameters of less that 1% (I think this is the consensus) are still
isomorphous, over this you have non-isomorphism. There is a paper on this
(Crick ?).
Fred.
