Re: [ccp4bb] CCP4i: P212121 to P22121 conversion

2008-11-09 Thread Scott Pegan
Jacob, You could also just use reindex app in CCP4 to change the original MTZ to a P22121 MTZ. Scott On Sat, Nov 8, 2008 at 1:46 AM, Kay Diederichs [EMAIL PROTECTED] wrote: Jacob, you could use, for refinement, the FP SIGFP columns from the .mtz-file that PHASER writes out, together with

[ccp4bb] CCP4i: P212121 to P22121 conversion

2008-11-07 Thread Jacob Wong
Dear all, a dummy question: I had processed a data set with HKL2000 to produce a P212121.sca file. Phaser seems to find MR solution with P22121 alternative spacegroup option. Now I want to do rigid body refinement with Refmac in CCP4i, there is no longer option for me to choose P22121. Apparently

Re: [ccp4bb] CCP4i: P212121 to P22121 conversion

2008-11-07 Thread Kay Diederichs
Jacob, you could use, for refinement, the FP SIGFP columns from the .mtz-file that PHASER writes out, together with the .pdb-file of the best solution. One caveat: the resolution of the data in that file is what you chose for the PHASER calculation, so you might need to re-run PHASER with