On Thu, Sep 2, 2010 at 5:31 AM, <herman.schreu...@sanofi-aventis.com> wrote:
> The other question is: why does phaser write 'R 3 :H' in the mtz? When > the problem with the P21221 space group first popped up last year, Randy > told me that space group numbers like 2018 are non-standard, and that > space group 18 with the name P21221 was the way to go. This is fair > enough, but 'R 3 :H' is neither PDB nor ccp4 standard and I did not find > it in the international tables. Is it maybe a phenix standard? > No, it pre-dates Phenix - it's the "extended Hermann Mauguin symbol", whatever that means: http://www.ccp4.ac.uk/html/symmetry.html I don't know why it's used preferentially in Phenix, but in theory it's supported by CCP4 programs, except those which are still using the older symmetry information. syminfo.lib has the correct information (space group number 146), symop.lib does not. As previously noted the last time this discussion came up (December, if memory serves), Coot also uses this notation: http://www.biop.ox.ac.uk/coot/doc/coot/Reading-coordinates.html -Nat
