[phenixbb] omit map with twinning?

[Francis E Reyes]

I've yet to run into a case where an omit map on atwinned crystal gave  
reasonable maps. I'd love to hear the outcome of this.

FR

On Feb 17, 2010, at 2:46 PM, Kelly Daughtry wrote:

> Hello all,
> The omit_map in the new gui (version 1.5) is great, but I can not
> include a twin law when calculating the omit map, thus the result is
> very messy unclear maps. I do not know if 1.6 has the solution or not,
> I am still lobbying our computer guy to upgrade to it...
>
> Is there a way from the command line i can include the twin law in
> autobuild so I can calculate the omit map, or can I just add it into
> the eff file?
>
> My other solution has been to use the create maps function with my
> data and pdb with ligand removed.
> This works, giving me a nice Fo-DFc map, but it would be nice to be
> able to show a true omit map for the ligand, as is customary in most
> structure papers I have run across.
>
> Thanks in advance for any help you can provide!
>
> Kelly
>
> *******************************************************
> Kelly Daughtry
> PhD Candidate
> Department of Physiology and Biophysics
> Boston University School of Medicine
> 590 Commonwealth Ave
> R 390
> Boston MA, 02215
> (P) 617-358-5548
> *******************************************************
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---------------------------------------------
Francis Reyes M.Sc.
215 UCB
University of Colorado at Boulder

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