Hi Ian, just wanted to mention that the tool is written by Ralf. I guess references are:
Acta Cryst. (1999). A55, 383-395 Algorithms for deriving crystallographic space-group information R. W. Grosse-Kunstleve Acta Cryst. (2002). A58, 60-65 Algorithms for deriving crystallographic space-group information. II. Treatment of special positions R. W. Grosse-Kunstleve and P. D. Adams All the best, Pavel On Thu, Aug 2, 2012 at 10:20 AM, Ian Tickle <[email protected]> wrote: > Also I see it works on all settings, not just the limited set of > standard symbols, doesn't need spaces in the names (which are > redundant anyway), and uses the correct xHM symbols (such as R32:r). > It also accepts the PDB-only symbols H3 & H32. > > Well done Pavel - Like + :). > > Cheers > > -- Ian > > On 2 August 2012 18:06, Pavel Afonine <[email protected]> wrote: > > Hi, > > > > cctbx Explore symmetry will do this and lot more: > > > > http://cci.lbl.gov/cctbx/explore_symmetry.html > > > > Pavel > > > > On Thu, Aug 2, 2012 at 1:37 AM, Careina Edgooms < > [email protected]> > > wrote: > >> > >> Dear ccp4 > >> > >> I ask a very fundamental question because I have not had formal training > >> in this and I would like to understand. > >> How can I obtain the multiplicity (z) from the space group? So for > example > >> if the space group is P222 how do I know that there are 4 monomers in > the > >> unit cell? Or if it is P422 then there is 8? I am only concerning myself > >> with a primitive lattice for now because I am sure the others are more > >> complicated. > >> thanks > >> Careina > > > > >
