[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.



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 
>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

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

More information about the phenixbb mailing list