I got some answers from the previous thread: https://www.mail-archive.com/ccp4bb@jiscmail.ac.uk/msg36578.html
But I just want to make sure what I am doing... Thanks a lot, Chen On Mon, May 18, 2015 at 1:36 PM, Chen Zhao <c.z...@yale.edu> wrote: > Hi Eleanor, > > Yeah, the relationship of the XYZ with the unit cell axes is tricky too. > Although I can get some clues by looking at the position of the > crystallographic symmetry axes on the XY plane, it is better if I could > find a definite answer... > > Thank you, > Chen > > On Mon, May 18, 2015 at 1:24 PM, Eleanor Dodson <eleanor.dod...@york.ac.uk > > wrote: > >> Hmm - there are programs which give you the matrix associated with >> Eulerian or Polar angles. I think one is pdbset.. >> >> Or there is documentation in polarrfn or rotmat which describes how to do >> it.. >> >> But remember there are conventions about which axes correspond to the >> orthogonal X Y Z axes used to define the angles >> >> Eleanor >> >> >> On 18 May 2015 at 17:04, Chen Zhao <c.z...@yale.edu> wrote: >> >>> Hi all, >>> >>> I am now trying to convert the NCS axis expressed by theta, phi, chi (or >>> alpha, beta, gamma) from MOLREP to an orthogonal matrix in order to feed >>> into SOLVE. Would anybody suggest me a correct way to do it? >>> >>> Thank you so much in advance! >>> >>> Best, >>> Chen >>> >>> >>> >> >
