Hi, I'm sure there's a way to do this in CCP4, but using some little jiffy programs I've collected over the years...
That's a 133 degree rotation around an axis defined by the unit vector 0.290647, 0.624977, 0.724519, and there's a small screw component of about 2.4A along the axis, so it's an improper rotation. On the other hand, if you combine a crystallographic symmetry operator with that transformation, you might still find that it's equivalent to a proper rotation. Regards, Randy Read On 21 Feb 2012, at 13:47, Francis E Reyes wrote: > Hi all > > This structure has the following ncs (output via phenix.simple_ncs_from_pdb) > OPERATOR 1 > CENTER: 18.3443 -55.4605 23.0986 > > ROTA 1: 1.0000 0.0000 0.0000 > ROTA 2: 0.0000 1.0000 0.0000 > ROTA 3: 0.0000 0.0000 1.0000 > TRANS: 0.0000 0.0000 0.0000 > > OPERATOR 2 > CENTER: 37.0405 -23.8676 -14.9388 > > ROTA 1: -0.5444 -0.2202 0.8094 > ROTA 2: 0.8330 -0.0278 0.5526 > ROTA 3: -0.0991 0.9751 0.1985 > TRANS: 45.3456 -78.7231 53.0085 > > > It looks two-foldish but I'm not sure if it's proper or improper. (I'm trying > to rationalize the lack of peaks on the self rotation maps). > > > Any help would be appreciated. > > F > > > > --------------------------------------------- > Francis E. Reyes M.Sc. > 215 UCB > University of Colorado at Boulder ------ Randy J. Read Department of Haematology, University of Cambridge Cambridge Institute for Medical Research Tel: + 44 1223 336500 Wellcome Trust/MRC Building Fax: + 44 1223 336827 Hills Road E-mail: rj...@cam.ac.uk Cambridge CB2 0XY, U.K. www-structmed.cimr.cam.ac.uk
