[cctbxbb] mtz2map gridding

Elliot Nelson elliot.nelson at dtc.ox.ac.uk
Thu Feb 21 11:05:13 PST 2019

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


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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