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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 <[log in to unmask]> 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