On Wed, 2012-05-09 at 17:06 +0100, Paul Emsley wrote:
> On 09/05/12 15:33, Ed Pozharski wrote:
> > Is there a quick way to reset all the alt-conf occupancies in a residue?
>
> (zero-occupancy-residue-range imol chain-id resno-start resno-end)
But this resets everything to *zero* occupancy, right? What I am
looking for is to reset, say all the atoms of alt-conf A to 0.7 and
those of alt-conf B to 0.3 for a particular residue. This would be
useful if one splits a residue only to find that the B-factors for
alt-conf B are significantly higher than those of A. A remedy then is
to set uneven occupancies (assuming that one is not a big fan of
occupancy *refinement*). Right now the only way I see in coot is to use
Residue Info dialog, and as I said, that takes many keystrokes. Perhaps
Residue info dialog could have "apply to conformation A" option similar
to "apply to all"?
Cheers,
Ed.
--
Coot verendus est
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