[phenixbb] phenix.refine automatic linking options

Engin Özkan eozkan at uchicago.edu
Tue Aug 11 07:40:16 PDT 2015


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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