Thanks a lot, I did that, when ever I update the coordinates and more cycle of
refinement,
the distance is varies. I tried sigma value in the elbow edits but did not
help.
How can I keep the distance constrained for example (2.4 to 2.6A) or more
strict 2.6 to 2.65?
Thanks
ram
________________________________
From: Nigel Moriarty
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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