[phenixbb] refining two chains into same density
Pavel Afonine
pafonine at lbl.gov
Fri May 2 06:03:30 PDT 2014
Hi Scott,
you can do it in phenix.refine, please have a look at corresponding
documentation page:
http://phenix-online.org/documentation/refinement.htm#anch111
All you need to do is:
1) Place two chains into density (which I figure you've already done)
2) Make sure each chain has a non-blank altloc, say A and B
3) Run phenix.refine.
If you need more help with this you can send me PDB file (and indicate
chains in questions) and I will make sure it works correctly.
Pavel
On 5/2/14, 5:50 AM, Scott Horowitz wrote:
> I have a strange case where I think there are two separate protein
> chains that are partially occupying the same spot (i.e. two
> proteins:one binding site=half of each bound). I'd really like to try
> to simultaneously refine both chains at partial occupancy into this
> density, but when I tried this (not surprisingly) it terminated
> because there were some overlapping atomic coordinates between the two
> chains. Is there a way to work around this?
>
> Thanks,
> Scott
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