[phenixbb] TER card only at the end of polymer chains of pdb file

Oleg Sobolev osobolev at lbl.gov
Tue Sep 25 11:20:31 PDT 2018


Hi Maxime,

Thank you for letting us know about the issue. We have fixed it, the fix
will be available in the next nightly build (after 3270).

Best regards,
Oleg Sobolev.

On Fri, Sep 14, 2018 at 12:01 PM, Maxime Cuypers <maximecuypers at gmail.com>
wrote:

> Hello,
>
> The pdb deposition server only allows deposition of pdb files that have a
> TER card at the end of polymer chains. But phenix add a ter card at the end
> of each chain, regardless of the content or whether or not the TER card was
> present before refinement or not.
>
> Would it be possible to have this automagically handled by phenix.refine
> so the user does not encur the frustrating systematic error during
> deposition and need to edit the pdb file every time a 'final refinement' is
> tested for validation ?
>
> does that make sense?
>
> cheerios to all,
>
> Maxime
>
>
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