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Re: [aria-discuss] CCPN/Aria2.3.1 Two Zn Centers/Fingers Structure Calculation


Chronological Thread 
  • From: Benjamin Bardiaux <bardiaux AT pasteur.fr>
  • To: aria-discuss AT services.cnrs.fr, "Kelly, Mark" <Mark.Kelly AT ucsf.edu>
  • Subject: Re: [aria-discuss] CCPN/Aria2.3.1 Two Zn Centers/Fingers Structure Calculation
  • Date: Fri, 28 Feb 2020 10:08:36 +0100
  • Ironport-sdr: BOsEPhL7bq+X0PnL3MaNXpvSP3fFtQFjY8DNsNv8abXoOQqph6XOfy3ubdK7OJVHBT83XYWZDl VYWa7f0lKmeg==

Dear Mark,

The latest aria version (2.3.2) should automatically add the Zinc ions that you specify in the Zn patches. Or, you could also add each zinc in a separate chain in the CCPN molecular system and select all CCPN chains in ARIA.

You can add any number of Zn patches as needed in the aria gui. Each zinc must be in a different chain.

You can download aria2.3.2 here:
http://aria.pasteur.fr/archives/aria2.3.2.tar.gz

Best,

Benjamin

On 2/27/20 5:06 AM, Kelly, Mark wrote:

Hello Aria list,

we are trying to calculate a structure of a protein with two Zn
fingers/centers:

Cys4-Zn

Cys3His-Zn

how should we do this in CCPN and Aria2.3.1 if we have two centers?

Thanks,

Mark



--
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Dr Benjamin Bardiaux | Bioinformatique Structurale
bardiaux AT pasteur.fr | Institut Pasteur
25,28 rue du Docteur Roux 75015 Paris, France
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