[phenixbb] distance constrain in phenix

Pavel Afonine pafonine at lbl.gov
Thu Dec 2 12:20:47 PST 2010


  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.

step 3:
Use this file in phenix.refine runs.

Pavel.


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