[phenixbb] Fo-Fc omit map for ligand in the protein-ligand structure
pafonine at lbl.gov
Sat Sep 20 09:39:08 PDT 2014
Most likely this is because you loaded MTZ with with no Fourier map
On 9/20/14 8:39 AM, Wei Shi wrote:
> Thank you so much! Is 'Create maximum entropy map' in the latest
> nightly build that could create the omit map you guys suggested? I was
> trying to run it but got the error message 'No column labels
> specified'. In the columns labels it shows '---' and don't give me any
> option to change... I just loaded my mtz file and the ligand-free pdb
> file and left all other settings as default. Thank you so much!
> On Wed, Sep 17, 2014 at 2:39 AM, Dale Tronrud <detBB at daletronrud.com
> <mailto:detBB at daletronrud.com>> wrote:
> I don't believe I said he was the first. He did develop an
> implementation which has proven useful to a large number of people.
> On 9/16/2014 8:52 PM, Nathaniel Echols wrote:
> > On Tue, Sep 16, 2014 at 11:36 AM, Dale Tronrud
> <detBB at daletronrud.com <mailto:detBB at daletronrud.com>
> > <mailto:detBB at daletronrud.com <mailto:detBB at daletronrud.com>>>
> > This sounds like Bricogne's maximum entropy maps.
> > Maybe I'm misunderstanding this reference, but I don't think
> > was the first person to come up with the idea:
> > which I think is just an extension of the application to X-ray
> > described by Gull & Daniel (1978).
> > -Nat
> phenixbb mailing list
> phenixbb at phenix-online.org <mailto:phenixbb at phenix-online.org>
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