[cctbxbb] mtz2map gridding

[Pavel Afonine]

Hi Elliot,

I will have a look at phenix.mtz2map. Meanwhile you can use the attached 
script that exemplifies how you can do this having a great flexibility 
choosing map gridding!

To run this example:

phenix.fetch_pdb 1yjp
phenix.python run3.py

Let me know if you have any questions.

Pavel

On 2/21/19 11:01, Elliot Nelson wrote:
>
> Hi All,
>
>
> I've been trying to use Phenix.mtz2map to sample maps to a particular 
> array size with the "gridding" option, but found that this seems to 
> have no effect on the output of the program. I was wondering whether 
> there were some restrictions to the integers that are permitted or 
> otherwise what might be the cause of this behaviour. Having hunted 
> through the code it seems to just set n_real in the crystal gridding, 
> which is then fed into an fft - possibly the latter ignores n_reals 
> that aren't sensible?
>
>
> Any idea?
>
>
> Thanks, Conor
>
>
> on behalf of  Conor Wild: conor.wild at oriel.ox.ac.uk
>
>
> Elliot
>
>
> DPhil Student, Systems Approaches to Biomedical Science 
> <http://www.sabsidc.ox.ac.uk/>
> Protein Crystallography <http://www.thesgc.org/groupprofile/9489>, 
> Structural Genomics Consortium, NDM,  University of Oxford
> Oxford Protein Informatics Group <http://opig.stats.ox.ac.uk/>, 
> Department of Statistics, University of Oxford
>

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