[COOT] application of crystallographic symmetry operators

2010-08-04 Thread Ingo P. Korndoerfer
hello everybody, i was struggling with a detail yesterday and haven't really gotten anywhere (well yes, i have done it another way, now, but still think it should work as i describe below). when i click on a symmetry mate, coots shows me the symmetry operators applied to generate this one, in my

Re: [COOT] application of crystallographic symmetry operators

2010-08-04 Thread Paul Emsley
On 04/08/10 11:50, Ingo P. Korndoerfer wrote: i was struggling with a detail yesterday and haven't really gotten anywhere (well yes, i have done it another way, now, but still think it should work as i describe below). when i click on a symmetry mate, coots shows me the symmetry operators applie

Re: [COOT] application of crystallographic symmetry operators

2010-08-06 Thread Paul Emsley
On 04/08/10 11:50, Ingo P. Korndoerfer wrote: when i click on a symmetry mate, coots shows me the symmetry operators applied to generate this one, in my case like [-X+1/2,Y+1/2,-Z (-1 -1 -1)] (or so, from memory) now i tried to use this symmetry operator to generate a new molecule. it would a