Bernhard,
It's complicated. The last two columns are related to atomic Z number and
group occupancy. They used a different equation than the typical
Debye-Waller equation to calculate a sort of B-factor and get the electron
density maps.
Bernie Santarsiero
On Fri, June 20, 2008 4:05 pm, Bernhard Rupp wrote:
> Dear All -
>
> can someone please explain to me the last 2 dat items in the
> 2mhb ATOM recs? Looks like X Y Z followed by B and ??
> Is this some historic legacy (1977) or another remediation incident?
> Obviousy this is not the standard format it purports to be in,
> but there might be good reasons. No access to orig citation...
>
> Thx, br
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