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 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.
