Description
The program reads PDB model, reflection data (Fobs or Iobs), experimental uncertainties and R-free flags, if available. Then it computes {2mFobs-DFmodel, Phase_model} map that is subject to FEM procedure.
- Output is MTZ file with three sets of Fourier map coefficients:
- 2mFoDFc,PHI2mFoDFc: usual {2mFobs-DFmodel, Phase_model} sigma-a weighted synthesis. No anisotropy correction or filling missing data.
- ResolveDM,PHIResolveDM: Resolve density modified map coefficients
- FEM,PHIFEM: Feature Enhanced Map
Command line usage examples:
% phenix.fem model.pdb data.mtz % phenix.fem data.mtz model.pdb label=Fobs % phenix.fem model.pdb data.mtz scattering_label=neutron
GUI
Graphical user interface is available
Additional information
Latest presentation of FEM methodology:
http://phenix-online.org/presentations/fem_SEP2013.pdfPublication in Computational Crystallography Newsletter (front page):
http://www.phenix-online.org/newsletter/CCN_2013_07.pdf