[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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