Re: [phenixbb] calculating map from pdb

Hi Scott,

I was wondering how to quickly back-compute an electron density map from a PDB using phenix from the command line. I'm assuming it's not hard, but I can't find documentation that would lead me to it.

first you get your PDB file: phenix.fetch_pdb 1akg --mtz then compute 2mFo-DFc and residual mFo-DFc maps: phenix.maps 1akg.pdb 1akg.mtz If you want model calculated map phenix.fmodel 1akg.pdb high_resolution=1 this will give your Fourier map of 1A resolution. We don't have a user-exposed tool to calculate exact electron density map from a PDB file. Pavel