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: [email protected]
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