[phenixbb] (no subject)
Terwilliger, Thomas Charles
terwilliger at lanl.gov
Fri Jul 10 08:32:41 PDT 2015
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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