[phenixbb] phenix.refine read .geo file

[Oleg Sobolev]

Dear Sheila,

The .geo file outputted by Phenix cannot be read back in. To manually set
or edit some restraints, please refer to the docs here:
https://www.phenix-online.org/documentation/reference/refinement.html#definition-of-custom-bonds-and-angles
If the restraint is already present, please use "action = change" instead
of "add".

Please let us know if you have any questions.

Best regards,
Oleg Sobolev.

On Wed, Oct 7, 2020 at 7:41 PM Sheila Boreiko <sheila_boreiko at hotmail.com>
wrote:

> Dear all,
>
> For the sake of some experiment, I would like to manually edit some
> restraints of a geometry restraint file (normally named .geo) and ask for
> phenix.refine to read this edited file rather than producing a new one, is
> this possible? What should be the command line to read this geometry
> restraint file be?
>
>
> Thank you,
> Sheila
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