On Oct 27, 2009, at 2:28 PM, Sam Stampfer wrote:
This isn't exactly phenix-related but someone might know an easy solution. I'm trying to open an electron density map in pymol. It won't open .mtz files and the .xplor files I generated from ccp4i don't seem to work either. I need to have my density as a .xplor file in order for pymol to open it (I think). How would I generate a .xplor file from .mtz? Or, alternately, how can I set phenix to output a .xplor file? I've had it output to a cns file instead of .mtz but that didn't help me get it in .xplor format.
Several solutions: 1) phenix.create_maps 2) output.write_maps=True in phenix.refine will generate XPLOR maps. 3) In the GUI, it should create the XPLOR maps on the fly if you click one of the "Open in PyMOL" buttons. Since most of the necessary code is already floating around, I don't mind creating a utility for simply converting map coefficients, if people would find this useful, but unfortunately we don't have the ability to write CCP4-format maps yet. One thing to make sure of is that PyMOL is recognizing the input format correctly - sometimes you need to explicitly state this: PyMOL> load 2fofc.xplor, format=xplor ------------------- Nathaniel Echols Lawrence Berkeley Lab 510-486-5136 [email protected]