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 [email protected] 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