Crick attached for educational value, but I don't think it is nonisomprphism
Depending on the other cell params
1) check symmetry and Matthews - the mean of your values is 90 which could
make it orthophombic (merge will tell)
2) this could well be the same cell differently set up (89.6 = 90.4) abc ->
c -b a
BR
-----Original Message-----
From: CCP4 bulletin board [mailto:[log in to unmask]] On Behalf Of
Vellieux Frederic
Sent: Wednesday, June 08, 2011 8:11 AM
To: [log in to unmask]
Subject: Re: [ccp4bb] Change cell parameter
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.
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