[sharp-discuss] SnB question

[Clemens Vonrhein]

Dear Tommy,

I thought so ... you can easily use the sites you found with SnB in
autoSHARP: just create a file 'something.hatom' in your
sharpfiles/datafiles directory in the format described in the manual
(autoSHARP, chapter1). It will skip the heavy atom detection step and
use the supplied sites. After refinement (and interpretation of
residual maps) it will test the handedness.

Note: If you think SnB hasn't found all sites make sure to use the
number of expected sites in autoSHARP - even if the *.hatom file does
not contain this exact number.

Cheers

Clemens


On Tue, Jan 29, 2002 at 01:01:03PM +0800, Tommy Wang wrote:
> I got a reply from Charles Weeks and yes the solutions are self-consistent.
> However, the handedness is not fixed, so it means I cannot use the HA sites
> unless I verify the handedness with respect to each other. I might as well
> use sharp or solve in this case.
> 
> Tommy

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