Hi Ashok, Here is one approach you could try: A. Make each helix be a separate chain (chains A and B). Probably this is already the case B. Run phenix.find_ncs to find the operators and any point-group symmetry present: phenix.find_ncs force_ncs=true chainsAB.pdb map_coeffs.mtz C. Now look at the file: temp_dir/NCS_correlation.log Near the end of the file it will either say, Did not find any NC operator combination consistent with a point group or else it will give information related to what you are looking for: Looking for point-group symmetry among the 2 NC elements that might be members This point group is a rotation about a line going through the point xyz (orthogonal A) = 0.009 29.305 0.005 xyz (fractional)= 0.000 1.172 0.000 in the direction of xyz (orthogonal A) = 0.903 0.430 0.002 No additional SG symmetry found to be part of point group All the best, Tom T On Jul 9, 2015, at 11:20 PM, Ashok Nayak wrote:
Dear Phenixites,
I have a helical bundle structure, where in I wish to understand by what rotation and about which axis the dimers are inter-related. What I get from the superposition with Superpose is the transformation matrix and not the axis, and the angles are also elusive.
Ashok Nayak CSIR-CDRI Lucknow, India
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