[phenixbb] distance constrain in phenix

[r n]

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 <nwmoriarty at lbl.gov>
To: PHENIX user mailing list <phenixbb at 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 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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>> 
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>>  
>>  
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>>  
>> 

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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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