From: Nigel Moriarty <nwmoriarty@lbl.gov>
To: PHENIX user mailing list
<phenixbb@phenix-online.org>
Sent: Thu, December 2, 2010 2:55:22 PM
Subject: Re: [phenixbb] distance constrain in phenix
On Thu, Dec 2, 2010 at 12:20 PM, Pavel Afonine
<pafonine@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:
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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
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