[phenixbb] hi

Vellieux Frederic Frederic.Vellieux at ibs.fr
Tue Jul 6 03:51:38 PDT 2010


Hi,

 From the phenix manual:

Refinement with minimization (selected part of model):
% phenix.refine data.hkl model.pdb strategy=individual_sites 
sites.individual="chain A"

This will refine the coordinates of atoms in chain A while keeping fixed 
the atomic coordinates in chain B.

So I think you probably need to have a different chain ID for your 
ligand, and the above should do the trick. Note that here, Phenix is run 
in command line mode, not the GUI. I haven't checked if it's possible to 
do this with the GUI.

Fred.

intekhab alam wrote:
> I am a new user to phenix and have just started with Phenix.refine 
> using GUI.
>  I want to fix the co-ordinate of  ligand atoms in my structure and 
> then refine it. can anyone help me to do that in phenix GUI.
> Thanks in advance
>  
> Regards
>  
> INTEKHAB ALAM
> LABORATORY OF STRUCTURAL BIOINFORMATICS
> KOREA UNIVERSITY, SEOUL
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