[phenixbb] (no subject)

[Terwilliger, Thomas Charles]

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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