Hi,
resolution 1.5 > (...) > > even after refining individual atom (phenix) i still have positive and > negative peak > > Make sure you use proper refinement strategy at this resolution: - refine coordinates, and anisotropic ADPs (macromolecule and heavy atoms, if any) and isotropic for the rest, automatically update waters, etc..etc..etc... 2- i want to calculate anomalous difference map for Br , sulfur and Tin (not > refining using anomalous) how can i do that? > > You mentioned you used PHENIX for refinement. In this case you don't need to do anything: your anomalous difference map is in MTZ file created by phenix.refine at the end of refinement (provided that your input data was not merged, but you used F+/F-). You can also use phenix.maps to compute anomalous difference map. Pavel.
