newbie question about data processing

From: Edward A. Berry
Date: 18 October 2011 22:18

I integrated data with mosflm using the lowest symmetry implied by
the lattice- P4. Scaling with scala confirms that symmetry.
Now I want to test P422, but scala doesn't seem to have a SYMM
or SPACE GROUP keyword. I'm sure there is an obvious way to do
this, which everyone else knows, but i don't see it.

I understand that pointless can be inserted between mosflm
and scala to decide and change space group. Unfortunately
I built ccp4 without cctbx, phaser and pointless (phaser is
installed separately) so I don't have pointless. I'm
trying to get it installed now but if there is another way
to rescale the batches with higher symmetry I would like
to try it.

Ed

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From: Harry

Hi Ed

"reindex" is your friend here -

reindex hklin jumbo.mtz hklout dumbo.mtz <<eof
symm p422
eof

should do it.

Harry
--
Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 0QH

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From: Edward A. Berry

Thanks! That does it.

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From: Phil Evans


If you don't want to build Pointless yourself, there are binaries for Linux & OSX (10.6) on our ftp site here (not Windows I'm afraid)

ftp://ftp.mrc-lmb.cam.ac.uk/pub/pre/pointless-1.6.6.linux
.../pointless-1.6.6.osx10.6

You might also want to update the ccp4i task with .../pointless_ccp4i_1.4.tar.gz

Phil