[phenixbb] distance constrain in phenix

[Nigel Moriarty]

On Thu, Dec 2, 2010 at 12:20 PM, Pavel Afonine <pafonine at lbl.gov> wrote:

>  Hi,
>
> step 1:
> Run
> phenix.metal_coordination model.pdb
> this will create a file defining the protein-metal restraints.
>
> step 2:
> Look at this file and make sure the defined restraints match your
> expectations.
>

Take particular note of the angles.  You may wish to delete them for the
first few rounds of refinement.


> step 3:
> Use this file in phenix.refine runs.
>
> Pavel.
>
>
>
> On 12/2/10 12:07 PM, r n wrote:
>
>
>
>    Hi
>  I would like to do distance restrain refinement for metal coordination.
>
>  How can I do metal - protein  strict distance restrain refinement in
> phenix?
>
>  Thanks
> ram
>
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>


-- 
Nigel W. Moriarty
Building 64R0246B, Physical Biosciences Division
Lawrence Berkeley National Laboratory
Berkeley, CA 94720-8235
Phone : 510-486-5709     Email : NWMoriarty at LBL.gov
Fax   : 510-486-5909       Web  : CCI.LBL.gov
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