[phenixbb] Short contact with symmetry mate
pafonine at lbl.gov
Wed Jul 22 18:01:38 PDT 2015
you need to define that bond manually. This can be done using custom
bonds machinery that is documented here:
If you have problems or questions please let me know.
On 7/19/15 06:48, Ashok Nayak wrote:
> Dear Phenix BB,
> I am refining a helical bundle structure where I have been obtaining
> an invariant short contact (close to 2A) at a Glu residue with Lys of
> symmetry related molecule of one helix of the bundle. I had been using
> Rigid body, TLS, occupancy and Indv ADP for the refinement (which gave
> the best Rfree values). If I include coordinate refinement the short
> contact seems to be gone rather with higher Rfree values. I ll
> appreciate some suggestions regarding this.
> Thank you in advance.
> Ashok Nayak
> Lucknow, India
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