Hello H?l?ne--
> I a wondering if there is a script in xplor-nih which transforms the
> calculated structures with dipolar couplings into their alignment frame
> (or any frame if its Euler angles are known)..
>
Given Euler angles, you can generate a rotation matrix using e.g.
from pcsTools import ZYZRot
mat=ZYZRot(alpha,beta,gamma)
and then rotate your molecule using the opposite rotation
from atomSelAction import Rotate
AtomSel("not PSEUDO").apply(Rotate(transpose(mat)))
protocol.writePDB('rotated.pdb')
hope it works...
best regards--
Charles
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Charles Schwieters email: Charles at Schwieters.org
www: http://schwieters.org/cds
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