[phenixbb] how to bypass/deactivate dictionnary check for restraints in phenix.refine

[Dorothee Liebschner]

Hi Maxime,

Can you send the model and the cif file, so we can investigate?
(Reply only to me, so the file is not shared to the entire list.)

Best wishes,

Dorothee

On Fri, Feb 2, 2018 at 7:36 AM, Maxime Cuypers <maximecuypers at gmail.com>
wrote:

> Hello All,
>
> I am refining an unusual complex moiety in a protein xl with neutron data.
> Does anyone know if it is possible to bypass/deactivate dictionnary .cif
> check
> i got the blocking error message "it looks like angle and bond restraints
> are conflicting." and Phenix.refine stops.
> but really it s not conflicting: my .cif file works great in coot to model
> the complex. it is hydrogen based, so i really need restraints to get it
> optimal.
>
> any clues welcome, many thanks in advance.
>
> Dr. Maxime Cuypers
> Post-Doctoral Research Associate, Structural Biology
> St Jude Children s Research Hospital,
> 262 Danny Thomas Place
> Memphis, TN 38105-3678, USA
>
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