[phenixbb] metal coordination restrain on alternative conformation
phenixzyfish at gmail.com
Thu Oct 3 14:31:58 PDT 2013
It is embarrassing that I didn't read this section at all. I was searching
around in the GUI and failed to set the constraint group for occupancy, but
I am able to run it correctly by command now guided by the documentation.
On Thu, Oct 3, 2013 at 3:32 PM, Pavel Afonine <pafonine at lbl.gov> wrote:
> Hi Yu,
> have you already read section of phenix.refine manual that (I hope)
> answers your questions in details? If not - please give it a try, and if
> you still have questions please let me know and I will be more than happy
> to help.
> On 10/3/13 12:27 PM, Zhang yu wrote:
>> Hi Nigel,
>> Another question. How do I let phenix.refine know that all atoms in my
>> ligand should have the same occupancy for one conformation? The occupancy
>> refinement in phenix.refine assigned different occupancies to atoms in one
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