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 >> >> >> >
