[phenixbb] HETATM automated chain assignment

R.D. Oeffner rdo20 at cam.ac.uk
Fri Feb 15 08:39:20 PST 2013


Hi Talon,

In the Phenix GUI under model tools, the program "Sort hetero atom groups" shopuld do what you want. You may have to enable alpha-test programs in the GUI preferences setttings.

Regards,

Rob


On Feb 15 2013, Talon Romain wrote:

>Hello to the Phenix bulletin board community,
>
>I would like to know if I could find a tool to automatically assign 
>HETATM atom (or even, water molecules) to the nearest protein chain ?
>
>In my case, I have 4 protein chains in the asymmetric unit : A, B, C and 
>D. I would like to assign each ions and each ligands (which are 
>numerous) with the chain letter of the nearest residue that coordinate 
>them.
>Usually, I rename everything by hand but as the in-house program of the 
>PDBe AutoDep deposition tool automatically do that...
>
>I beg your pardon if this question has just been posted here. I didn't 
>find any tool either in the Phenix Suite or in the "Extensions" and 
>"Calculate" menus of the Coot program (v0.7).
>
>Best regards.
>
>Romain Talon
>_______________________________________________
>phenixbb mailing list
>phenixbb at phenix-online.org
>http://phenix-online.org/mailman/listinfo/phenixbb
>

-- 
Robert Oeffner, Ph.D.
Research Associate, The Read Group
Department of Haematology, University of Cambridge
Cambridge Institute of Medical Research
Wellcome Trust / MRC Building, Hills Road, Cambridge, CB2 0XY
www-structmed.cimr.cam.ac.uk, tel:01223763234, mobile:07712 887162




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