[phenixbb] Unwanted LINK records
dkreitler at chem.wisc.edu
Fri Jul 26 13:05:37 PDT 2019
Try running with the parameter:
Check if automatic linking is enabled with the All parameters button in the
GUI. Looks like the default might be True?
On Fri, Jul 26, 2019 at 11:21 AM Luca Pellegrini <lp212 at cam.ac.uk> wrote:
> Phenix.real_space_refine generates a few spurious covalent bonds between
> protein and ligand in my structure, which distort the local structure, and
> then adds the corresponding LINK records in the output file. Is there a way
> to avoid this?
> I am aware of the anti-link option previously mentioned in the phenixbb:
> but I was wondering if there was another way of preventing this from
> happening. I am using Phenix 1.15.2-3472.
> Best wishes,
> Luca Pellegrini, PhD
> Department of Biochemistry
> University of Cambridge
> Cambridge CB2 1GA
> United Kingdom
> lp212 at cam.ac.uk
> tel.: 0044 1223 760469
> phenixbb mailing list
> phenixbb at phenix-online.org
> Unsubscribe: phenixbb-leave at phenix-online.org
Graduate Research Assistant
Department of Chemistry
University of Wisconsin-Madison
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