Re: [ccp4bb] newbie question about data processing
Hi Ed "reindex" is your friend here - reindex hklin jumbo.mtz hklout dumbo.mtz < 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 Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 0QH
Re: [ccp4bb] newbie question about data processing
Thanks! That does it. Harry wrote: Hi Ed "reindex" is your friend here - reindex hklin jumbo.mtz hklout dumbo.mtz < 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 Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 0QH
Re: [ccp4bb] newbie question about data processing
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 On 18 Oct 2011, at 22:18, Edward A. Berry wrote: > 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
