[phenixbb] phenix.refine automatic linking options

Billy Poon bkpoon at lbl.gov
Thu Aug 13 09:28:27 PDT 2015

Hi Engin,

Thanks! We updated that part of the GUI so that it should be more
intuitive. There is now a button that lets you apply automatic linking to
all the components and a button that disables all automatic linking. You
can, of course, still pick which components to enable by checking the
specific boxes.

On Tue, Aug 11, 2015 at 7:40 AM, Engin Özkan <eozkan at uchicago.edu> wrote:

> Dear Developers,
> Using the latest phenix nightly, I observed something odd in the
> phenix.refine UI, and I thought I should report it. If one unchecks
> Automatic ligand linking, this seems to not override its options, as the
> instructions in the Options window suggest. Specifically, if "Automatic
> Ligand Linking" is unchecked, but the "Link metals" is checked within its
> Options window, metal link restraints are still created.
> I checked the .geo file to confirm this.
> Thanks,
> Engin
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Billy K. Poon
Research Scientist
Lawrence Berkeley National Laboratory
1 Cyclotron Road, M/S 33R0345
Berkeley, CA 94720
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