Perfect, thx!
BR
-----Original Message-----
From: [log in to unmask] [mailto:[log in to unmask]]
Sent: Dienstag, 9. Februar 2016 14:08
To: [log in to unmask]; [log in to unmask]
Subject: Re: [ccp4bb] break bond in refmac/coot
Hi Bernhard,
In REFMAC this can be prevented by specifying "MAKE SSbridge No" and making
sure that an SSBOND record for the two unconnected cysteines is absent in
the coordinate file. Cysteine bridge restraints will still be applied for
other SSBOND records.
Best,
Wouter Touw
On 02/09/2016 01:51 PM, Bernhard Rupp (Hofkristallrat a.D.) wrote:
> Hi Fellows,
>
> I have a S-S bond that is probably split and/or radiation damaged, and
> +/- difference density
>
> supports that I break one of the 2 alternate conformations.
>
> In once case I could accomplish this with a separate LINKR statement,
>
> but in another instance the second alternate conformation always
> reconnects again after
>
> refmac refinement, generating again the contradictory difference
densities.
>
> How do I explicitly **prevent** a link formation so that they get
> pushed apart?
>
> Thx, BR
>
> ----------------------------------------------------------------------
> ------------------
>
> Many plausible ideas vanish at the presence of thought..
>
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