[phenixbb] Fo-Fc omit map for ligand in the protein-ligand structure

[Wei Shi]

The mtz file I loaded is from Phenix -> Reflection file editor with default
settings using the cns.hkl file from xds. I am not sure how to get the MTZ
with Fourier map coefficients. Thank you!

Best,
Wei

On Sat, Sep 20, 2014 at 12:39 PM, Pavel Afonine <pafonine at lbl.gov> wrote:

>  Most likely this is because you loaded MTZ with with no Fourier map
> coefficients.
> Pavel
>
>
> 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!
>
> Best,
> Wei
>
> On Wed, Sep 17, 2014 at 2:39 AM, Dale Tronrud <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.
>>
>> Dale
>>
>> 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>> wrote:
>> >
>> >     This sounds like Bricogne's maximum entropy maps.
>> >
>> >
>> > Maybe I'm misunderstanding this reference, but I don't think Bricogne
>> > was the first person to come up with the idea:
>> >
>> >
>> https://www.researchgate.net/publication/232761305_Electron_density_images_from_imperfect_data_by_iterative_entropy_maximization
>> >
>> > which I think is just an extension of the application to X-ray astronomy
>> > described by Gull & Daniel (1978).
>> >
>> > -Nat
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>>
>
>
>
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