Sorry for the spaming... Just want to correct that I plan to say covert the MOLREP self-RF Euler angle to RESOLVE (not SOLVE) orthogonal matrix...
On Mon, May 18, 2015 at 1:44 PM, Chen Zhao <c.z...@yale.edu> wrote: > 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 >>>> >>>> >>>> >>> >> >
